7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide

C16H12ClN3O2 — CID 86296468

IUPAC7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
SMILESNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1
InChIInChI=1S/C16H12ClN3O2/c17-12-3-1-2-10(4-12)9-22-13-6-15-14(20-8-13)5-11(7-19-15)16(18)21/h1-8H,9H2,(H2,18,21)
InChIKeyVSFIFIZCGYLPQY-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.96
Rot. Bonds4

About 7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide

7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide (PubChem CID 86296468) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
PubChem CID86296468
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
SMILESNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1
InChIInChI=1S/C16H12ClN3O2/c17-12-3-1-2-10(4-12)9-22-13-6-15-14(20-8-13)5-11(7-19-15)16(18)21/h1-8H,9H2,(H2,18,21)
InChIKeyVSFIFIZCGYLPQY-UHFFFAOYSA-N
XLogP2.96
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide (CID 86296468) is 7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide is NC(=O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1.
What is the InChIKey of 7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide?
The InChIKey is VSFIFIZCGYLPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-12-3-1-2-10(4-12)9-22-13-6-15-14(20-8-13)5-11(7-19-15)16(18)21/h1-8H,9H2,(H2,18,21).
What are the key properties of 7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide?
7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chlorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 86296468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).