N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

C22H22ClN5O2 — CID 50799939

IUPACN-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1
InChIInChI=1S/C22H22ClN5O2/c1-14-7-8-16(23)11-18(14)25-21(29)15-5-4-10-28(13-15)22(30)20-12-19(26-27-20)17-6-2-3-9-24-17/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H,25,29)(H,26,27)
InChIKeyTXWXUHAMZUSDCQ-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.92
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 50799939) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
PubChem CID50799939
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC NameN-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1
InChIInChI=1S/C22H22ClN5O2/c1-14-7-8-16(23)11-18(14)25-21(29)15-5-4-10-28(13-15)22(30)20-12-19(26-27-20)17-6-2-3-9-24-17/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H,25,29)(H,26,27)
InChIKeyTXWXUHAMZUSDCQ-UHFFFAOYSA-N
XLogP3.92
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044702
(3R)-N-propan-2-yl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892697
(3S)-N-cyclopropyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892702
(3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92751845
N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 50799662
(3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92875196
(3R)-N-(4-ethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892685
(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892680
N-[(4-methylphenyl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799692
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
(3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 93069842
N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 46352054

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (CID 50799939) is N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is TXWXUHAMZUSDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-14-7-8-16(23)11-18(14)25-21(29)15-5-4-10-28(13-15)22(30)20-12-19(26-27-20)17-6-2-3-9-24-17/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 50799939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).