1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide

C28H20ClN3O2 — CID 43996302

IUPAC1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C28H20ClN3O2/c29-22-14-12-19(13-15-22)18-32-26-21(9-6-16-30-26)17-24(28(32)34)27(33)31-25-11-5-4-10-23(25)20-7-2-1-3-8-20/h1-17H,18H2,(H,31,33)
InChIKeyNAIJLFIMBGCFCZ-UHFFFAOYSA-N
MW465.94 g/mol
LogP6.02
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide

1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 43996302) has the molecular formula C28H20ClN3O2 and a molecular weight of 465.94 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide
PubChem CID43996302
Molecular FormulaC28H20ClN3O2
Molecular Weight465.94 g/mol
Exact Mass465.12
IUPAC Name1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C28H20ClN3O2/c29-22-14-12-19(13-15-22)18-32-26-21(9-6-16-30-26)17-24(28(32)34)27(33)31-25-11-5-4-10-23(25)20-7-2-1-3-8-20/h1-17H,18H2,(H,31,33)
InChIKeyNAIJLFIMBGCFCZ-UHFFFAOYSA-N
XLogP6.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.94
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide
CID 7621241
1-benzyl-N-(2-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620230
N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996288
1-benzyl-N-(2-carbamoylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620334
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996326
N-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996287
N-(2-ethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620518
1-[(4-chlorophenyl)methyl]-N-(2-cyano-4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996297
N-butan-2-yl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996260
1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxamide
CID 43996367
1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 26844238
N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621143

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide (CID 43996302) is 1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide is O=C(Nc1ccccc1-c1ccccc1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is NAIJLFIMBGCFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClN3O2/c29-22-14-12-19(13-15-22)18-32-26-21(9-6-16-30-26)17-24(28(32)34)27(33)31-25-11-5-4-10-23(25)20-7-2-1-3-8-20/h1-17H,18H2,(H,31,33).
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 465.94 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43996302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).