1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide

C24H34N6O2 — CID 167375375

IUPAC1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccnc(N(C)C)c4)n[nH]3)CC2)CC1
InChIInChI=1S/C24H34N6O2/c1-16-4-6-19(7-5-16)26-23(31)17-9-12-30(13-10-17)24(32)21-15-20(27-28-21)18-8-11-25-22(14-18)29(2)3/h8,11,14-17,19H,4-7,9-10,12-13H2,1-3H3,(H,26,31)(H,27,28)
InChIKeyHAFCBRVGCMFUHU-UHFFFAOYSA-N
MW438.58 g/mol
LogP3.08
Rot. Bonds5

About 1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide

1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide (PubChem CID 167375375) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
PubChem CID167375375
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccnc(N(C)C)c4)n[nH]3)CC2)CC1
InChIInChI=1S/C24H34N6O2/c1-16-4-6-19(7-5-16)26-23(31)17-9-12-30(13-10-17)24(32)21-15-20(27-28-21)18-8-11-25-22(14-18)29(2)3/h8,11,14-17,19H,4-7,9-10,12-13H2,1-3H3,(H,26,31)(H,27,28)
InChIKeyHAFCBRVGCMFUHU-UHFFFAOYSA-N
XLogP3.08
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide (CID 167375375) is 1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide is CC1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccnc(N(C)C)c4)n[nH]3)CC2)CC1.
What is the InChIKey of 1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is HAFCBRVGCMFUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-16-4-6-19(7-5-16)26-23(31)17-9-12-30(13-10-17)24(32)21-15-20(27-28-21)18-8-11-25-22(14-18)29(2)3/h8,11,14-17,19H,4-7,9-10,12-13H2,1-3H3,(H,26,31)(H,27,28).
What are the key properties of 1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 167375375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).