(3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

C20H21ClN6O — CID 95369280

IUPAC(3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1Cl
InChIInChI=1S/C20H21ClN6O/c1-14-5-6-16(10-17(14)21)25-20(28)15-4-2-8-26(12-15)18-11-19(23-13-22-18)27-9-3-7-24-27/h3,5-7,9-11,13,15H,2,4,8,12H2,1H3,(H,25,28)/t15-/m0/s1
InChIKeyBLDSJEWICYVGLG-HNNXBMFYSA-N
MW396.88 g/mol
LogP3.48
Rot. Bonds4

About (3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

(3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 95369280) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is (3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID95369280
Molecular FormulaC20H21ClN6O
Molecular Weight396.88 g/mol
Exact Mass396.15
IUPAC Name(3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1Cl
InChIInChI=1S/C20H21ClN6O/c1-14-5-6-16(10-17(14)21)25-20(28)15-4-2-8-26(12-15)18-11-19(23-13-22-18)27-9-3-7-24-27/h3,5-7,9-11,13,15H,2,4,8,12H2,1H3,(H,25,28)/t15-/m0/s1
InChIKeyBLDSJEWICYVGLG-HNNXBMFYSA-N
XLogP3.48
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-4-ylpiperidine-3-carboxamide
CID 90520525
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520509
N-(3,5-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520586
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520642
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520656
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520655
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90520568
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520690
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514398
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452692
N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520662
N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 95367717

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (CID 95369280) is (3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1Cl.
What is the InChIKey of (3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is BLDSJEWICYVGLG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21ClN6O/c1-14-5-6-16(10-17(14)21)25-20(28)15-4-2-8-26(12-15)18-11-19(23-13-22-18)27-9-3-7-24-27/h3,5-7,9-11,13,15H,2,4,8,12H2,1H3,(H,25,28)/t15-/m0/s1.
What are the key properties of (3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
(3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95369280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).