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

C22H15FN4O3 — CID 70011012

IUPACN-(4-carbamoylphenyl)-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cn(-c3ccc(F)cc3)c3ncccc3c2=O)cc1
InChIInChI=1S/C22H15FN4O3/c23-14-5-9-16(10-6-14)27-12-18(19(28)17-2-1-11-25-21(17)27)22(30)26-15-7-3-13(4-8-15)20(24)29/h1-12H,(H2,24,29)(H,26,30)
InChIKeyHLTXPWWYFMNXQH-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.88
Rot. Bonds4

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

N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 70011012) has the molecular formula C22H15FN4O3 and a molecular weight of 402.39 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID70011012
Molecular FormulaC22H15FN4O3
Molecular Weight402.39 g/mol
Exact Mass402.11
IUPAC NameN-(4-carbamoylphenyl)-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cn(-c3ccc(F)cc3)c3ncccc3c2=O)cc1
InChIInChI=1S/C22H15FN4O3/c23-14-5-9-16(10-6-14)27-12-18(19(28)17-2-1-11-25-21(17)27)22(30)26-15-7-3-13(4-8-15)20(24)29/h1-12H,(H2,24,29)(H,26,30)
InChIKeyHLTXPWWYFMNXQH-UHFFFAOYSA-N
XLogP2.88
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 70011012) is N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide is NC(=O)c1ccc(NC(=O)c2cn(-c3ccc(F)cc3)c3ncccc3c2=O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is HLTXPWWYFMNXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O3/c23-14-5-9-16(10-6-14)27-12-18(19(28)17-2-1-11-25-21(17)27)22(30)26-15-7-3-13(4-8-15)20(24)29/h1-12H,(H2,24,29)(H,26,30).
What are the key properties of N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 402.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 70011012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).