N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide

C17H14ClN3O — CID 110859285

IUPACN-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cnccc3nc2C)cc1Cl
InChIInChI=1S/C17H14ClN3O/c1-10-3-4-13(8-15(10)18)21-17(22)14-7-12-9-19-6-5-16(12)20-11(14)2/h3-9H,1-2H3,(H,21,22)
InChIKeyNTYNCEVURXGCAA-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.15
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide

N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide (PubChem CID 110859285) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
PubChem CID110859285
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cnccc3nc2C)cc1Cl
InChIInChI=1S/C17H14ClN3O/c1-10-3-4-13(8-15(10)18)21-17(22)14-7-12-9-19-6-5-16(12)20-11(14)2/h3-9H,1-2H3,(H,21,22)
InChIKeyNTYNCEVURXGCAA-UHFFFAOYSA-N
XLogP4.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110863992
N-(3-acetamidophenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110861356
N-(3-chloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81233976
2-methyl-N-(2-methylphenyl)-1,6-naphthyridine-3-carboxamide
CID 110856628
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 11234562
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-3-carboxamide
CID 107701234
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
N-(3-chloro-4-methylphenyl)-7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498818
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55805245
N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4142231

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide (CID 110859285) is N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc3cnccc3nc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide?
The InChIKey is NTYNCEVURXGCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-10-3-4-13(8-15(10)18)21-17(22)14-7-12-9-19-6-5-16(12)20-11(14)2/h3-9H,1-2H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 110859285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).