(3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide

C25H25ClN6O3S — CID 90416192

IUPAC(3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(Cn2nnc3ccc(-c4cc(NC(=O)[C@@H]5CCCNC5)ncc4Cl)cc32)cc1
InChIInChI=1S/C25H25ClN6O3S/c1-36(34,35)19-7-4-16(5-8-19)15-32-23-11-17(6-9-22(23)30-31-32)20-12-24(28-14-21(20)26)29-25(33)18-3-2-10-27-13-18/h4-9,11-12,14,18,27H,2-3,10,13,15H2,1H3,(H,28,29,33)/t18-/m1/s1
InChIKeyFRKYKKLUVNYQOI-GOSISDBHSA-N
MW525.03 g/mol
LogP3.54
Rot. Bonds6

About (3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide

(3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 90416192) has the molecular formula C25H25ClN6O3S and a molecular weight of 525.03 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID90416192
Molecular FormulaC25H25ClN6O3S
Molecular Weight525.03 g/mol
Exact Mass524.14
IUPAC Name(3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(Cn2nnc3ccc(-c4cc(NC(=O)[C@@H]5CCCNC5)ncc4Cl)cc32)cc1
InChIInChI=1S/C25H25ClN6O3S/c1-36(34,35)19-7-4-16(5-8-19)15-32-23-11-17(6-9-22(23)30-31-32)20-12-24(28-14-21(20)26)29-25(33)18-3-2-10-27-13-18/h4-9,11-12,14,18,27H,2-3,10,13,15H2,1H3,(H,28,29,33)/t18-/m1/s1
InChIKeyFRKYKKLUVNYQOI-GOSISDBHSA-N
XLogP3.54
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.03
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90412692
N-[5-chloro-4-[3-[2-(3-fluorophenyl)ethyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 140653427
(3R)-N-[5-chloro-4-[3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90413612
N-[5-chloro-4-[3-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 140653411
N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 140653382
(3R)-N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 86299078
N-[5-chloro-4-[1-(quinoxalin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90412837
(3R)-N-[5-chloro-4-[1-(1,3-thiazol-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide;N-[5-chloro-4-[3-(1,3-thiazol-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90414253
N-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90413193
N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide
CID 72661282
N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90416114
(3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 67221821

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 90416192) is (3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is CS(=O)(=O)c1ccc(Cn2nnc3ccc(-c4cc(NC(=O)[C@@H]5CCCNC5)ncc4Cl)cc32)cc1.
What is the InChIKey of (3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is FRKYKKLUVNYQOI-GOSISDBHSA-N. The full InChI is InChI=1S/C25H25ClN6O3S/c1-36(34,35)19-7-4-16(5-8-19)15-32-23-11-17(6-9-22(23)30-31-32)20-12-24(28-14-21(20)26)29-25(33)18-3-2-10-27-13-18/h4-9,11-12,14,18,27H,2-3,10,13,15H2,1H3,(H,28,29,33)/t18-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 525.03 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 90416192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).