N-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide

C16H12FN3O2 — CID 69380632

IUPACN-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cc2[nH]c(=O)ccc2cn1
InChIInChI=1S/C16H12FN3O2/c17-12-3-1-2-10(6-12)8-19-16(22)14-7-13-11(9-18-14)4-5-15(21)20-13/h1-7,9H,8H2,(H,19,22)(H,20,21)
InChIKeyLXYXKBQNLWNWNF-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.99
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide

N-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide (PubChem CID 69380632) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide
PubChem CID69380632
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC NameN-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cc2[nH]c(=O)ccc2cn1
InChIInChI=1S/C16H12FN3O2/c17-12-3-1-2-10(6-12)8-19-16(22)14-7-13-11(9-18-14)4-5-15(21)20-13/h1-7,9H,8H2,(H,19,22)(H,20,21)
InChIKeyLXYXKBQNLWNWNF-UHFFFAOYSA-N
XLogP1.99
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide (CID 69380632) is N-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide is O=C(NCc1cccc(F)c1)c1cc2[nH]c(=O)ccc2cn1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide?
The InChIKey is LXYXKBQNLWNWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-12-3-1-2-10(6-12)8-19-16(22)14-7-13-11(9-18-14)4-5-15(21)20-13/h1-7,9H,8H2,(H,19,22)(H,20,21).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide?
N-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-oxo-1H-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 69380632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).