6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide

C20H19N5O2 — CID 172861782

IUPAC6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(-n2cc(-c3ccc(C#N)cc3)c(=O)[nH]2)nc1
InChIInChI=1S/C20H19N5O2/c1-13(2)10-23-19(26)16-7-8-18(22-11-16)25-12-17(20(27)24-25)15-5-3-14(9-21)4-6-15/h3-8,11-13H,10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyZLHZHAKNONFDQF-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.49
Rot. Bonds5

About 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide

6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 172861782) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID172861782
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(-n2cc(-c3ccc(C#N)cc3)c(=O)[nH]2)nc1
InChIInChI=1S/C20H19N5O2/c1-13(2)10-23-19(26)16-7-8-18(22-11-16)25-12-17(20(27)24-25)15-5-3-14(9-21)4-6-15/h3-8,11-13H,10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyZLHZHAKNONFDQF-UHFFFAOYSA-N
XLogP2.49
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 172825187
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 172682404
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 172741673
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 172718136
6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 172819697
6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide
CID 172733582
6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide
CID 156860293
N-(2-aminopropyl)-4-cyanobenzamide
CID 63732512
6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 4268648
N-[(2S)-2-amino-3-methylbutyl]-4-cyanobenzamide;hydrochloride
CID 69484483
4-cyano-N-(5-methylhexyl)benzamide
CID 79003058
4-cyano-N-(2,2-diethoxyethyl)benzamide
CID 78909770

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide (CID 172861782) is 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide is CC(C)CNC(=O)c1ccc(-n2cc(-c3ccc(C#N)cc3)c(=O)[nH]2)nc1.
What is the InChIKey of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is ZLHZHAKNONFDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13(2)10-23-19(26)16-7-8-18(22-11-16)25-12-17(20(27)24-25)15-5-3-14(9-21)4-6-15/h3-8,11-13H,10H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide?
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 172861782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).