N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

C23H25N5O2 — CID 50799662

IUPACN-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)c1
InChIInChI=1S/C23H25N5O2/c1-15-6-7-16(2)19(13-15)25-22(29)17-8-11-28(12-9-17)23(30)21-14-20(26-27-21)18-5-3-4-10-24-18/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyOEOFWJSEUJOIBA-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.58
Rot. Bonds4

About N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 50799662) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID50799662
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)c1
InChIInChI=1S/C23H25N5O2/c1-15-6-7-16(2)19(13-15)25-22(29)17-8-11-28(12-9-17)23(30)21-14-20(26-27-21)18-5-3-4-10-24-18/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyOEOFWJSEUJOIBA-UHFFFAOYSA-N
XLogP3.58
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799939
(3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044702
N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide
CID 16866425
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 70848684
N-[(4-methylphenyl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799692
N-(2,6-dimethylphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087509
(3R)-N-propan-2-yl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892697
(3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92751845
(3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92875196
(3S)-N-cyclopropyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892702
(3R)-N-(4-ethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892685
N-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
CID 46992891

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (CID 50799662) is N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is OEOFWJSEUJOIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15-6-7-16(2)19(13-15)25-22(29)17-8-11-28(12-9-17)23(30)21-14-20(26-27-21)18-5-3-4-10-24-18/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 50799662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).