N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

C18H18N6O3 — CID 131933497

IUPACN-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1C(=O)N(C)C
InChIInChI=1S/C18H18N6O3/c1-23(2)18(26)13-9-12(7-8-15(13)27-3)21-17(25)14-5-4-6-16(22-14)24-10-19-20-11-24/h4-11H,1-3H3,(H,21,25)
InChIKeyXJGSJHHHDFIQPN-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.62
Rot. Bonds5

About N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (PubChem CID 131933497) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
PubChem CID131933497
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC NameN-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1C(=O)N(C)C
InChIInChI=1S/C18H18N6O3/c1-23(2)18(26)13-9-12(7-8-15(13)27-3)21-17(25)14-5-4-6-16(22-14)24-10-19-20-11-24/h4-11H,1-3H3,(H,21,25)
InChIKeyXJGSJHHHDFIQPN-UHFFFAOYSA-N
XLogP1.62
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586962
N-(2-methoxyphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586956
3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide
CID 131944597
2-methoxy-N,N-dimethyl-5-(methylcarbamoylamino)benzamide
CID 74241829
N-(3-chloro-4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573514
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573864
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 131925260
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 131939884
N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22587016
5-[2-(4,6-dimethylpyrimidin-2-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide
CID 72871754
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131927307
6-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 62234559

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (CID 131933497) is N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1C(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The InChIKey is XJGSJHHHDFIQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-23(2)18(26)13-9-12(7-8-15(13)27-3)21-17(25)14-5-4-6-16(22-14)24-10-19-20-11-24/h4-11H,1-3H3,(H,21,25).
What are the key properties of N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 131933497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).