N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide

C24H19ClFN3O2 — CID 10026002

IUPACN-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1c(-c2ccc(F)cc2)c2cccnc2c(=O)n1C
InChIInChI=1S/C24H19ClFN3O2/c1-28(14-16-6-3-4-8-19(16)25)24(31)22-20(15-9-11-17(26)12-10-15)18-7-5-13-27-21(18)23(30)29(22)2/h3-13H,14H2,1-2H3
InChIKeyPRUNAWUFIXUODD-UHFFFAOYSA-N
MW435.89 g/mol
LogP4.67
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide

N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide (PubChem CID 10026002) has the molecular formula C24H19ClFN3O2 and a molecular weight of 435.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide
PubChem CID10026002
Molecular FormulaC24H19ClFN3O2
Molecular Weight435.89 g/mol
Exact Mass435.11
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1c(-c2ccc(F)cc2)c2cccnc2c(=O)n1C
InChIInChI=1S/C24H19ClFN3O2/c1-28(14-16-6-3-4-8-19(16)25)24(31)22-20(15-9-11-17(26)12-10-15)18-7-5-13-27-21(18)23(30)29(22)2/h3-13H,14H2,1-2H3
InChIKeyPRUNAWUFIXUODD-UHFFFAOYSA-N
XLogP4.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide
CID 1345
Befiradol
CID 9865384
Tak-637
CID 9894349
N-[(2r)-Butan-2-Yl]-1-(2-Chlorophenyl)-N-Methylisoquinoline-3-Carboxamide
CID 24839733
N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-oxo-5-p-tolyl-7,8-dihydro-1,7-naphthyridine-6-carboxamide
CID 9871754
1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide C-11
CID 450825
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
CID 6603767
7-Methyl-8-oxo-5-P-tolyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (S)-[(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide (enantiomeric mix)
CID 10053205
Pyridine amide, 9
CID 44237001
Pyridine amide, 27
CID 44237002
N-{3-[(2r)-6-Amino-2,4-Dimethyl-3-Oxo-2,3,4,5-Tetrahydropyrazin-2-Yl]phenyl}-5-Chloropyridine-2-Carboxamide
CID 53481984
2-chloro-N-(pyridin-2-ylmethyl)benzamide
CID 668839

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide (CID 10026002) is N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide is CN(Cc1ccccc1Cl)C(=O)c1c(-c2ccc(F)cc2)c2cccnc2c(=O)n1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide?
The InChIKey is PRUNAWUFIXUODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O2/c1-28(14-16-6-3-4-8-19(16)25)24(31)22-20(15-9-11-17(26)12-10-15)18-7-5-13-27-21(18)23(30)29(22)2/h3-13H,14H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide?
N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide has a molecular weight of 435.89 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 10026002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).