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LSP-249

CAT: 0127-BUP05738-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05738-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1801253-04-2
Purity
=98%
Smiles
Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1

Chemical Information

N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
CAS Number1801253-04-2
PubChem CID118665163
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
Molecular FormulaC24H22ClN5O
Molecular Weight431.9
XLogP3.8
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity607
SMILES
CC1=CC(=NC(=C1CNC(=O)C2=CC(=NC=C2)CC3=CC4=CC(=CN=C4C=C3)Cl)C)N
InChI
InChI=1S/C24H22ClN5O/c1-14-7-23(26)30-15(2)21(14)13-29-24(31)17-5-6-27-20(11-17)9-16-3-4-22-18(8-16)10-19(25)12-28-22/h3-8,10-12H,9,13H2,1-2H3,(H2,26,30)(H,29,31)
InChIKey
BDLURRLRBKLEDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
CAS: 1801253-04-2
CID: 118665163
Formula: C24H22ClN5O
MW: 431.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.9
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass431.1512880
Monoisotopic Mass431.1512880
Topological Polar Surface Area93.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity607
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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