N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide

C23H22N4O2S — CID 78835145

IUPACN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccc(-c3cccs3)nc2C)c2nccn2C)cc1
InChIInChI=1S/C23H22N4O2S/c1-15-18(10-11-19(25-15)20-5-4-14-30-20)23(28)26-21(22-24-12-13-27(22)2)16-6-8-17(29-3)9-7-16/h4-14,21H,1-3H3,(H,26,28)
InChIKeyKFDGSFJHNFABET-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.38
Rot. Bonds6

About N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 78835145) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
PubChem CID78835145
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccc(-c3cccs3)nc2C)c2nccn2C)cc1
InChIInChI=1S/C23H22N4O2S/c1-15-18(10-11-19(25-15)20-5-4-14-30-20)23(28)26-21(22-24-12-13-27(22)2)16-6-8-17(29-3)9-7-16/h4-14,21H,1-3H3,(H,26,28)
InChIKeyKFDGSFJHNFABET-UHFFFAOYSA-N
XLogP4.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 43013985
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 51273479
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 110429336
N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 25330794
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
4-benzamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46537794
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31513365
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 55595371

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide (CID 78835145) is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide is COc1ccc(C(NC(=O)c2ccc(-c3cccs3)nc2C)c2nccn2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is KFDGSFJHNFABET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-15-18(10-11-19(25-15)20-5-4-14-30-20)23(28)26-21(22-24-12-13-27(22)2)16-6-8-17(29-3)9-7-16/h4-14,21H,1-3H3,(H,26,28).
What are the key properties of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 78835145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).