N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

C21H28N6O2 — CID 163294964

IUPACN-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccncn4)n[nH]3)CC2)CC1
InChIInChI=1S/C21H28N6O2/c1-14-2-4-16(5-3-14)24-20(28)15-7-10-27(11-8-15)21(29)19-12-18(25-26-19)17-6-9-22-13-23-17/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,24,28)(H,25,26)
InChIKeyANQSASYPMTVBHG-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.41
Rot. Bonds4

About N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 163294964) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID163294964
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC NameN-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccncn4)n[nH]3)CC2)CC1
InChIInChI=1S/C21H28N6O2/c1-14-2-4-16(5-3-14)24-20(28)15-7-10-27(11-8-15)21(29)19-12-18(25-26-19)17-6-9-22-13-23-17/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,24,28)(H,25,26)
InChIKeyANQSASYPMTVBHG-UHFFFAOYSA-N
XLogP2.41
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-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

1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 163295763
4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid
CID 169006139
1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 167375375
N-cyclooctyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087505
1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 167375058
1-[3-(2-methoxy-3-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 163295438
N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163295106
N-cyclopentyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087604
(3S)-N-cyclopropyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892702
(3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 94080403
N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 50799662
N-(2,6-dimethylphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087509

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (CID 163294964) is N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is CC1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccncn4)n[nH]3)CC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is ANQSASYPMTVBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-14-2-4-16(5-3-14)24-20(28)15-7-10-27(11-8-15)21(29)19-12-18(25-26-19)17-6-9-22-13-23-17/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 163294964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).