N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

C21H28N6O2 — CID 163295106

IUPACN-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESCN1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)CC1
InChIInChI=1S/C21H28N6O2/c1-26-10-6-17(7-11-26)23-20(28)16-4-12-27(13-5-16)21(29)19-14-18(24-25-19)15-2-8-22-9-3-15/h2-3,8-9,14,16-17H,4-7,10-13H2,1H3,(H,23,28)(H,24,25)
InChIKeyZDTYXPOVYPQLKN-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.53
Rot. Bonds4

About N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 163295106) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID163295106
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC NameN-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESCN1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)CC1
InChIInChI=1S/C21H28N6O2/c1-26-10-6-17(7-11-26)23-20(28)16-4-12-27(13-5-16)21(29)19-14-18(24-25-19)15-2-8-22-9-3-15/h2-3,8-9,14,16-17H,4-7,10-13H2,1H3,(H,23,28)(H,24,25)
InChIKeyZDTYXPOVYPQLKN-UHFFFAOYSA-N
XLogP1.53
TPSA94.22 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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-methylpiperidin-4-yl)-1-(3-pyridin-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

N-cyclooctyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087505
(3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 94080403
N-cyclopentyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087604
N-(2,6-dimethylphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087509
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
N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163294964
1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 167375375
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 167375381
1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 167375058
[(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 95722063
2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 53087516

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (CID 163295106) is N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is CN1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is ZDTYXPOVYPQLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-26-10-6-17(7-11-26)23-20(28)16-4-12-27(13-5-16)21(29)19-14-18(24-25-19)15-2-8-22-9-3-15/h2-3,8-9,14,16-17H,4-7,10-13H2,1H3,(H,23,28)(H,24,25).
What are the key properties of N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 163295106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).