3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide

C16H16ClN3O3 — CID 131944597

IUPAC3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccncc2Cl)cc1C(=O)N(C)C
InChIInChI=1S/C16H16ClN3O3/c1-20(2)16(22)12-8-10(4-5-14(12)23-3)19-15(21)11-6-7-18-9-13(11)17/h4-9H,1-3H3,(H,19,21)
InChIKeyOAXRHCOHECGECY-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.70
Rot. Bonds4

About 3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide

3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide (PubChem CID 131944597) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide
PubChem CID131944597
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccncc2Cl)cc1C(=O)N(C)C
InChIInChI=1S/C16H16ClN3O3/c1-20(2)16(22)12-8-10(4-5-14(12)23-3)19-15(21)11-6-7-18-9-13(11)17/h4-9H,1-3H3,(H,19,21)
InChIKeyOAXRHCOHECGECY-UHFFFAOYSA-N
XLogP2.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 66462058
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131927307
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 66464599
4-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 81227052
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 131939884
2-methoxy-N,N-dimethyl-5-(methylcarbamoylamino)benzamide
CID 74241829
N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 99842680
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 131925260
4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 81229781
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 131933497
2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 138041122
2-chloro-5-[(3,5-dimethoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 55674801

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide (CID 131944597) is 3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccncc2Cl)cc1C(=O)N(C)C.
What is the InChIKey of 3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide?
The InChIKey is OAXRHCOHECGECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-20(2)16(22)12-8-10(4-5-14(12)23-3)19-15(21)11-6-7-18-9-13(11)17/h4-9H,1-3H3,(H,19,21).
What are the key properties of 3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide?
3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide has a molecular weight of 333.78 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 131944597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).