N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C20H22N4O2 — CID 72873095

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCc1cc(C)n(C(C)CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)n1
InChIInChI=1S/C20H22N4O2/c1-13-11-14(2)24(23-13)15(3)12-21-19(25)17-9-10-18(22-20(17)26)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyMTOOQPULRFHYOT-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 72873095) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID72873095
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCc1cc(C)n(C(C)CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)n1
InChIInChI=1S/C20H22N4O2/c1-13-11-14(2)24(23-13)15(3)12-21-19(25)17-9-10-18(22-20(17)26)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyMTOOQPULRFHYOT-UHFFFAOYSA-N
XLogP2.85
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-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-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 7444930
N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111484299
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 97149555
N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 95120648
6-(4-fluorophenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491162
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
6-(4-methoxyphenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491158
N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55793926
N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55756725
N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111483420
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95123695
N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 129350671

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 72873095) is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is Cc1cc(C)n(C(C)CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is MTOOQPULRFHYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-11-14(2)24(23-13)15(3)12-21-19(25)17-9-10-18(22-20(17)26)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 72873095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).