4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide

C14H13ClN2O2 — CID 81226687

IUPAC4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cnccc2Cl)cc1
InChIInChI=1S/C14H13ClN2O2/c1-17(10-3-5-11(19-2)6-4-10)14(18)12-9-16-8-7-13(12)15/h3-9H,1-2H3
InChIKeyRCEVWFADYRRWER-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.02
Rot. Bonds3

About 4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide

4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide (PubChem CID 81226687) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
PubChem CID81226687
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cnccc2Cl)cc1
InChIInChI=1S/C14H13ClN2O2/c1-17(10-3-5-11(19-2)6-4-10)14(18)12-9-16-8-7-13(12)15/h3-9H,1-2H3
InChIKeyRCEVWFADYRRWER-UHFFFAOYSA-N
XLogP3.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
CID 66463019
3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 66484340
4-chloro-N-(3-methoxyphenyl)-N,6-dimethylpyridine-3-carboxamide
CID 81226460
N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 62003471
N-(4-methoxyphenyl)-N-methyl-2-pyridin-4-ylacetamide
CID 110468130
4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 115115651
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934917
6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 66463737
5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107729726
N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide
CID 110467542
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide (CID 81226687) is 4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide is COc1ccc(N(C)C(=O)c2cnccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide?
The InChIKey is RCEVWFADYRRWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-17(10-3-5-11(19-2)6-4-10)14(18)12-9-16-8-7-13(12)15/h3-9H,1-2H3.
What are the key properties of 4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide?
4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 81226687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).