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BI 689648 5mg

CAT: 0628-A20499-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A20499-5Size:5 mg
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CAS Number
1633009-87-6

Chemical Information

6-[5-(methoxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CAS Number1633009-87-6
PubChem CID86305663
IUPAC Name6-[5-(methoxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
Molecular FormulaC16H18N4O2
Molecular Weight298.34
XLogP0.6
Topological Polar Surface Area81.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity392
SMILES
COCC1=CC(=CN=C1)C2=CC3=C(N=C2)N(CCC3)C(=O)N
InChI
InChI=1S/C16H18N4O2/c1-22-10-11-5-13(8-18-7-11)14-6-12-3-2-4-20(16(17)21)15(12)19-9-14/h5-9H,2-4,10H2,1H3,(H2,17,21)
InChIKey
DJFDCVNQDFICKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[5-(methoxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CAS: 1633009-87-6
CID: 86305663
Formula: C16H18N4O2
MW: 298.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight298.34
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass298.14297583
Monoisotopic Mass298.14297583
Topological Polar Surface Area81.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity392
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