N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide

C21H18N4O2S — CID 39948564

IUPACN-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C21H18N4O2S/c1-24(21(27)15-9-10-19(26)22-12-15)13-16-14-25(17-6-3-2-4-7-17)23-20(16)18-8-5-11-28-18/h2-12,14H,13H2,1H3,(H,22,26)
InChIKeyJUGGQTMLLPFIGM-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.56
Rot. Bonds5

About N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide

N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 39948564) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID39948564
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C21H18N4O2S/c1-24(21(27)15-9-10-19(26)22-12-15)13-16-14-25(17-6-3-2-4-7-17)23-20(16)18-8-5-11-28-18/h2-12,14H,13H2,1H3,(H,22,26)
InChIKeyJUGGQTMLLPFIGM-UHFFFAOYSA-N
XLogP3.56
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 41277650
N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112844915
N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119689520
7-fluoro-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide
CID 112844916
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
CID 18209870
N-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide
CID 79036748
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 31333953
4-[benzyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]amino]-4-oxobutanoate
CID 2121570
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 9140790
4-acetamido-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbenzamide
CID 39736620
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 18226295
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide (CID 39948564) is N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide is CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is JUGGQTMLLPFIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-24(21(27)15-9-10-19(26)22-12-15)13-16-14-25(17-6-3-2-4-7-17)23-20(16)18-8-5-11-28-18/h2-12,14H,13H2,1H3,(H,22,26).
What are the key properties of N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 39948564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).