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

C23H25N5O2 — CID 53087665

IUPACN-[(3-methylphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)c1
InChIInChI=1S/C23H25N5O2/c1-16-4-2-5-17(12-16)14-25-22(29)18-7-10-28(11-8-18)23(30)21-13-20(26-27-21)19-6-3-9-24-15-19/h2-6,9,12-13,15,18H,7-8,10-11,14H2,1H3,(H,25,29)(H,26,27)
InChIKeyBAJXBLDESHDDGE-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.95
Rot. Bonds5

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

N-[(3-methylphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 53087665) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID53087665
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[(3-methylphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)c1
InChIInChI=1S/C23H25N5O2/c1-16-4-2-5-17(12-16)14-25-22(29)18-7-10-28(11-8-18)23(30)21-13-20(26-27-21)19-6-3-9-24-15-19/h2-6,9,12-13,15,18H,7-8,10-11,14H2,1H3,(H,25,29)(H,26,27)
InChIKeyBAJXBLDESHDDGE-UHFFFAOYSA-N
XLogP2.95
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087608
N-cyclopentyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087604
(3S)-N-[(4-fluorophenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069498
N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163295575
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53008268
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 167375011
1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 33280813
N-[(2,3-dimethoxyphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 167375269
N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53087698
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(isoquinolin-6-ylmethyl)piperidine-4-carboxamide
CID 163296059
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-[(3-methylphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (CID 53087665) is N-[(3-methylphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is Cc1cccc(CNC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is BAJXBLDESHDDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16-4-2-5-17(12-16)14-25-22(29)18-7-10-28(11-8-18)23(30)21-13-20(26-27-21)19-6-3-9-24-15-19/h2-6,9,12-13,15,18H,7-8,10-11,14H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[(3-methylphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
N-[(3-methylphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 53087665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).