N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide

C25H24N4O2 — CID 41277650

IUPACN-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2ccc(=O)[nH]c2)cc1C
InChIInChI=1S/C25H24N4O2/c1-17-9-10-19(13-18(17)2)24-21(16-29(27-24)22-7-5-4-6-8-22)15-28(3)25(31)20-11-12-23(30)26-14-20/h4-14,16H,15H2,1-3H3,(H,26,30)
InChIKeyAKVSKRRLPWQRIA-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.12
Rot. Bonds5

About N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide

N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 41277650) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID41277650
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2ccc(=O)[nH]c2)cc1C
InChIInChI=1S/C25H24N4O2/c1-17-9-10-19(13-18(17)2)24-21(16-29(27-24)22-7-5-4-6-8-22)15-28(3)25(31)20-11-12-23(30)26-14-20/h4-14,16H,15H2,1-3H3,(H,26,30)
InChIKeyAKVSKRRLPWQRIA-UHFFFAOYSA-N
XLogP4.12
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide
CID 32688509
N-methyl-6-oxo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 39948564
3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride
CID 119696316
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
CID 18209870
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 47047950
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbenzamide
CID 18205415
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 9140790
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 31333953
2-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]acetic acid
CID 34881763
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29465073

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 41277650) is N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2ccc(=O)[nH]c2)cc1C.
What is the InChIKey of N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AKVSKRRLPWQRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-17-9-10-19(13-18(17)2)24-21(16-29(27-24)22-7-5-4-6-8-22)15-28(3)25(31)20-11-12-23(30)26-14-20/h4-14,16H,15H2,1-3H3,(H,26,30).
What are the key properties of N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 41277650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).