N-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide

C17H14FN3O2 — CID 6260964

IUPACN-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide
SMILESCc1nccc2[nH]c(=O)c(C(=O)NCc3ccc(F)cc3)cc12
InChIInChI=1S/C17H14FN3O2/c1-10-13-8-14(17(23)21-15(13)6-7-19-10)16(22)20-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyXVCQKZHDAMMWFL-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.30
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide (PubChem CID 6260964) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide
PubChem CID6260964
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide
SMILESCc1nccc2[nH]c(=O)c(C(=O)NCc3ccc(F)cc3)cc12
InChIInChI=1S/C17H14FN3O2/c1-10-13-8-14(17(23)21-15(13)6-7-19-10)16(22)20-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyXVCQKZHDAMMWFL-UHFFFAOYSA-N
XLogP2.30
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide (CID 6260964) is N-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide is Cc1nccc2[nH]c(=O)c(C(=O)NCc3ccc(F)cc3)cc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide?
The InChIKey is XVCQKZHDAMMWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-10-13-8-14(17(23)21-15(13)6-7-19-10)16(22)20-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 6260964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).