1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide

C18H16FN3O2 — CID 70011978

IUPAC1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(-c2ccc(F)cc2)c2ncccc2c1=O
InChIInChI=1S/C18H16FN3O2/c1-11(2)21-18(24)15-10-22(13-7-5-12(19)6-8-13)17-14(16(15)23)4-3-9-20-17/h3-11H,1-2H3,(H,21,24)
InChIKeyVGTQNRFEQMSESY-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.66
Rot. Bonds3

About 1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide

1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 70011978) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID70011978
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(-c2ccc(F)cc2)c2ncccc2c1=O
InChIInChI=1S/C18H16FN3O2/c1-11(2)21-18(24)15-10-22(13-7-5-12(19)6-8-13)17-14(16(15)23)4-3-9-20-17/h3-11H,1-2H3,(H,21,24)
InChIKeyVGTQNRFEQMSESY-UHFFFAOYSA-N
XLogP2.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (CID 70011978) is 1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide is CC(C)NC(=O)c1cn(-c2ccc(F)cc2)c2ncccc2c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is VGTQNRFEQMSESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11(2)21-18(24)15-10-22(13-7-5-12(19)6-8-13)17-14(16(15)23)4-3-9-20-17/h3-11H,1-2H3,(H,21,24).
What are the key properties of 1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 70011978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).