N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

C26H30N6O2 — CID 163295575

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1
InChIInChI=1S/C26H30N6O2/c33-25(28-22-10-12-31(18-22)17-19-5-2-1-3-6-19)20-8-13-32(14-9-20)26(34)24-15-23(29-30-24)21-7-4-11-27-16-21/h1-7,11,15-16,20,22H,8-10,12-14,17-18H2,(H,28,33)(H,29,30)/t22-/m1/s1
InChIKeyITTBQFNWQHIECV-JOCHJYFZSA-N
MW458.57 g/mol
LogP2.71
Rot. Bonds6

About N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 163295575) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID163295575
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1
InChIInChI=1S/C26H30N6O2/c33-25(28-22-10-12-31(18-22)17-19-5-2-1-3-6-19)20-8-13-32(14-9-20)26(34)24-15-23(29-30-24)21-7-4-11-27-16-21/h1-7,11,15-16,20,22H,8-10,12-14,17-18H2,(H,28,33)(H,29,30)/t22-/m1/s1
InChIKeyITTBQFNWQHIECV-JOCHJYFZSA-N
XLogP2.71
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087604
(3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069495
N-[(3-methylphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087665
N-(4-ethylphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087608
N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119831668
N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163295106
N-cyclooctyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087505
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94024983
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 63005959
N-(3-methylbutan-2-yl)-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 51129977
N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 52529847
(4aS,8aS)-6-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110147246

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (CID 163295575) is N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is ITTBQFNWQHIECV-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30N6O2/c33-25(28-22-10-12-31(18-22)17-19-5-2-1-3-6-19)20-8-13-32(14-9-20)26(34)24-15-23(29-30-24)21-7-4-11-27-16-21/h1-7,11,15-16,20,22H,8-10,12-14,17-18H2,(H,28,33)(H,29,30)/t22-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 163295575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).