N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide

C23H18ClN3O — CID 140502967

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc(-c2ccccc2)nc2ccncc12
InChIInChI=1S/C23H18ClN3O/c1-27(15-16-7-9-18(24)10-8-16)23(28)19-13-22(17-5-3-2-4-6-17)26-21-11-12-25-14-20(19)21/h2-14H,15H2,1H3
InChIKeyXZINUJDTYRDCDS-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.22
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide

N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide (PubChem CID 140502967) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide
PubChem CID140502967
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc(-c2ccccc2)nc2ccncc12
InChIInChI=1S/C23H18ClN3O/c1-27(15-16-7-9-18(24)10-8-16)23(28)19-13-22(17-5-3-2-4-6-17)26-21-11-12-25-14-20(19)21/h2-14H,15H2,1H3
InChIKeyXZINUJDTYRDCDS-UHFFFAOYSA-N
XLogP5.22
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535435
N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 39858915
6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 155968260
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 30278783
2-(4-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767183
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 8964759
N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
CID 995912
N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide
CID 105069615
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775
2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535473
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 27827840
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide (CID 140502967) is N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)c1cc(-c2ccccc2)nc2ccncc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide?
The InChIKey is XZINUJDTYRDCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c1-27(15-16-7-9-18(24)10-8-16)23(28)19-13-22(17-5-3-2-4-6-17)26-21-11-12-25-14-20(19)21/h2-14H,15H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide is sourced from PubChem (CID 140502967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).