N-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide

C23H18N6O3 — CID 135355267

IUPACN-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide
SMILESCn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3C(=O)NC#N)c2)cc1=O
InChIInChI=1S/C23H18N6O3/c1-27-8-7-15(9-21(27)30)18-10-22(31)28(2)13-19(18)16-11-26-29(12-16)20-6-4-3-5-17(20)23(32)25-14-24/h3-13H,1-2H3,(H,25,32)
InChIKeyZQUCFAZUWAGANP-UHFFFAOYSA-N
MW426.44 g/mol
LogP1.81
Rot. Bonds4

About N-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide

N-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide (PubChem CID 135355267) has the molecular formula C23H18N6O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide
PubChem CID135355267
Molecular FormulaC23H18N6O3
Molecular Weight426.44 g/mol
Exact Mass426.14
IUPAC NameN-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide
SMILESCn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3C(=O)NC#N)c2)cc1=O
InChIInChI=1S/C23H18N6O3/c1-27-8-7-15(9-21(27)30)18-10-22(31)28(2)13-19(18)16-11-26-29(12-16)20-6-4-3-5-17(20)23(32)25-14-24/h3-13H,1-2H3,(H,25,32)
InChIKeyZQUCFAZUWAGANP-UHFFFAOYSA-N
XLogP1.81
TPSA114.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(1H-pyrazol-1-yl)benzaldehyde
CID 965866
N-[5-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 139030331
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}butanamide
CID 833520
5-methyl-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850329
5-methyl-N-(2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 850355
N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850362
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
N,5-dimethyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850677
N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850704
N-(2-ethylphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850907
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646

Frequently Asked Questions

What is the IUPAC name of N-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide?
The IUPAC name of N-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide (CID 135355267) is N-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide?
The canonical SMILES for N-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide is Cn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3C(=O)NC#N)c2)cc1=O.
What is the InChIKey of N-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide?
The InChIKey is ZQUCFAZUWAGANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3/c1-27-8-7-15(9-21(27)30)18-10-22(31)28(2)13-19(18)16-11-26-29(12-16)20-6-4-3-5-17(20)23(32)25-14-24/h3-13H,1-2H3,(H,25,32).
What are the key properties of N-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide?
N-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide has a molecular weight of 426.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide is sourced from PubChem (CID 135355267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).