1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide

C20H13FN4O2 — CID 70012505

IUPAC1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccncc1)c1cn(-c2ccc(F)cc2)c2ncccc2c1=O
InChIInChI=1S/C20H13FN4O2/c21-13-3-5-15(6-4-13)25-12-17(18(26)16-2-1-9-23-19(16)25)20(27)24-14-7-10-22-11-8-14/h1-12H,(H,22,24,27)
InChIKeyCOFKBNYIAFCAGL-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.17
Rot. Bonds3

About 1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide

1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 70012505) has the molecular formula C20H13FN4O2 and a molecular weight of 360.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide
PubChem CID70012505
Molecular FormulaC20H13FN4O2
Molecular Weight360.35 g/mol
Exact Mass360.10
IUPAC Name1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccncc1)c1cn(-c2ccc(F)cc2)c2ncccc2c1=O
InChIInChI=1S/C20H13FN4O2/c21-13-3-5-15(6-4-13)25-12-17(18(26)16-2-1-9-23-19(16)25)20(27)24-14-7-10-22-11-8-14/h1-12H,(H,22,24,27)
InChIKeyCOFKBNYIAFCAGL-UHFFFAOYSA-N
XLogP3.17
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide (CID 70012505) is 1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide is O=C(Nc1ccncc1)c1cn(-c2ccc(F)cc2)c2ncccc2c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is COFKBNYIAFCAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O2/c21-13-3-5-15(6-4-13)25-12-17(18(26)16-2-1-9-23-19(16)25)20(27)24-14-7-10-22-11-8-14/h1-12H,(H,22,24,27).
What are the key properties of 1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide?
1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 360.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 70012505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).