3-chloro-N-methyl-N-phenylpyridine-4-carboxamide

C13H11ClN2O — CID 66463019

IUPAC3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1Cl)c1ccccc1
InChIInChI=1S/C13H11ClN2O/c1-16(10-5-3-2-4-6-10)13(17)11-7-8-15-9-12(11)14/h2-9H,1H3
InChIKeyQZNYMIJBCPRHIV-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.01
Rot. Bonds2

About 3-chloro-N-methyl-N-phenylpyridine-4-carboxamide

3-chloro-N-methyl-N-phenylpyridine-4-carboxamide (PubChem CID 66463019) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
PubChem CID66463019
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1Cl)c1ccccc1
InChIInChI=1S/C13H11ClN2O/c1-16(10-5-3-2-4-6-10)13(17)11-7-8-15-9-12(11)14/h2-9H,1H3
InChIKeyQZNYMIJBCPRHIV-UHFFFAOYSA-N
XLogP3.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 66484340
N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide
CID 66462789
2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide
CID 15075716
2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934917
4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 81226687
3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide
CID 66483410
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
N,2,3-trimethyl-N-phenylpyridine-4-carboxamide
CID 110856944
2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid
CID 66464574
2-chloro-N-methyl-4-nitro-N-phenylbenzamide
CID 799115
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide
CID 91758483

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-phenylpyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-methyl-N-phenylpyridine-4-carboxamide (CID 66463019) is 3-chloro-N-methyl-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-methyl-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-methyl-N-phenylpyridine-4-carboxamide is CN(C(=O)c1ccncc1Cl)c1ccccc1.
What is the InChIKey of 3-chloro-N-methyl-N-phenylpyridine-4-carboxamide?
The InChIKey is QZNYMIJBCPRHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-16(10-5-3-2-4-6-10)13(17)11-7-8-15-9-12(11)14/h2-9H,1H3.
What are the key properties of 3-chloro-N-methyl-N-phenylpyridine-4-carboxamide?
3-chloro-N-methyl-N-phenylpyridine-4-carboxamide has a molecular weight of 246.70 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 66463019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).