N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C25H24N4O2 — CID 25279162

IUPACN-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCc1ccccc1-n1ncc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1C
InChIInChI=1S/C25H24N4O2/c1-16-9-7-8-12-23(16)29-18(3)21(15-26-29)17(2)27-24(30)20-13-14-22(28-25(20)31)19-10-5-4-6-11-19/h4-15,17H,1-3H3,(H,27,30)(H,28,31)/t17-/m1/s1
InChIKeyOTYRGFHBWYMFGF-QGZVFWFLSA-N
MW412.49 g/mol
LogP4.34
Rot. Bonds5

About N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 25279162) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID25279162
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCc1ccccc1-n1ncc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1C
InChIInChI=1S/C25H24N4O2/c1-16-9-7-8-12-23(16)29-18(3)21(15-26-29)17(2)27-24(30)20-13-14-22(28-25(20)31)19-10-5-4-6-11-19/h4-15,17H,1-3H3,(H,27,30)(H,28,31)/t17-/m1/s1
InChIKeyOTYRGFHBWYMFGF-QGZVFWFLSA-N
XLogP4.34
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46975846
1,3-dimethyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2,6-dioxopyrimidine-4-carboxamide
CID 45223694
methyl 3-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethylcarbamoyl]benzoate
CID 45222272
1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 42591847
1-ethyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 45191349
2-methoxy-N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]pyrimidine-5-carboxamide
CID 97153776
N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide
CID 26332266
2-oxo-6-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-1H-pyridine-3-carboxamide
CID 95975984
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55933470
ethyl 2,4-dimethyl-5-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 25385672
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 97142637
6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 25279162) is N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1C.
What is the InChIKey of N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is OTYRGFHBWYMFGF-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16-9-7-8-12-23(16)29-18(3)21(15-26-29)17(2)27-24(30)20-13-14-22(28-25(20)31)19-10-5-4-6-11-19/h4-15,17H,1-3H3,(H,27,30)(H,28,31)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 25279162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).