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

C25H31ClN6O2 — CID 90412692

IUPAC(3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC1(O)CCC(Cn2nnc3ccc(-c4cc(NC(=O)[C@@H]5CCCNC5)ncc4Cl)cc32)CC1
InChIInChI=1S/C25H31ClN6O2/c1-25(34)8-6-16(7-9-25)15-32-22-11-17(4-5-21(22)30-31-32)19-12-23(28-14-20(19)26)29-24(33)18-3-2-10-27-13-18/h4-5,11-12,14,16,18,27,34H,2-3,6-10,13,15H2,1H3,(H,28,29,33)/t16?,18-,25?/m1/s1
InChIKeyPJMKSVBYGJTRNO-AUDXORNHSA-N
MW483.02 g/mol
LogP4.03
Rot. Bonds5

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

(3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 90412692) has the molecular formula C25H31ClN6O2 and a molecular weight of 483.02 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID90412692
Molecular FormulaC25H31ClN6O2
Molecular Weight483.02 g/mol
Exact Mass482.22
IUPAC Name(3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC1(O)CCC(Cn2nnc3ccc(-c4cc(NC(=O)[C@@H]5CCCNC5)ncc4Cl)cc32)CC1
InChIInChI=1S/C25H31ClN6O2/c1-25(34)8-6-16(7-9-25)15-32-22-11-17(4-5-21(22)30-31-32)19-12-23(28-14-20(19)26)29-24(33)18-3-2-10-27-13-18/h4-5,11-12,14,16,18,27,34H,2-3,6-10,13,15H2,1H3,(H,28,29,33)/t16?,18-,25?/m1/s1
InChIKeyPJMKSVBYGJTRNO-AUDXORNHSA-N
XLogP4.03
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.02
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90416192
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-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide
CID 72661282
(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-(quinoxalin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90412837
(3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90413200
N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90416114
N-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90413193

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 90412692) is (3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is CC1(O)CCC(Cn2nnc3ccc(-c4cc(NC(=O)[C@@H]5CCCNC5)ncc4Cl)cc32)CC1.
What is the InChIKey of (3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is PJMKSVBYGJTRNO-AUDXORNHSA-N. The full InChI is InChI=1S/C25H31ClN6O2/c1-25(34)8-6-16(7-9-25)15-32-22-11-17(4-5-21(22)30-31-32)19-12-23(28-14-20(19)26)29-24(33)18-3-2-10-27-13-18/h4-5,11-12,14,16,18,27,34H,2-3,6-10,13,15H2,1H3,(H,28,29,33)/t16?,18-,25?/m1/s1.
What are the key properties of (3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 483.02 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 90412692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).