N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide

C25H25ClN6O — CID 140653382

IUPACN-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3ncn(CCc4cccnc4)c3c2)c(Cl)cn1)C1CCCNC1
InChIInChI=1S/C25H25ClN6O/c26-21-15-29-24(31-25(33)19-4-2-9-28-14-19)12-20(21)18-5-6-22-23(11-18)32(16-30-22)10-7-17-3-1-8-27-13-17/h1,3,5-6,8,11-13,15-16,19,28H,2,4,7,9-10,14H2,(H,29,31,33)
InChIKeyZJOBAUSLTXSXEO-UHFFFAOYSA-N
MW460.97 g/mol
LogP4.33
Rot. Bonds6

About N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide

N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 140653382) has the molecular formula C25H25ClN6O and a molecular weight of 460.97 g/mol. Its IUPAC name is N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID140653382
Molecular FormulaC25H25ClN6O
Molecular Weight460.97 g/mol
Exact Mass460.18
IUPAC NameN-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3ncn(CCc4cccnc4)c3c2)c(Cl)cn1)C1CCCNC1
InChIInChI=1S/C25H25ClN6O/c26-21-15-29-24(31-25(33)19-4-2-9-28-14-19)12-20(21)18-5-6-22-23(11-18)32(16-30-22)10-7-17-3-1-8-27-13-17/h1,3,5-6,8,11-13,15-16,19,28H,2,4,7,9-10,14H2,(H,29,31,33)
InChIKeyZJOBAUSLTXSXEO-UHFFFAOYSA-N
XLogP4.33
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 86299078
N-[5-chloro-4-[3-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 140653411
(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-[3-[2-(3-fluorophenyl)ethyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 140653427
(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-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90413193
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-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90412692
(3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90416192
N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-1-methylazetidine-3-carboxamide
CID 90413030
(3R)-N-[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 90412986
N-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]-3-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide
CID 90413203

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 140653382) is N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2ccc3ncn(CCc4cccnc4)c3c2)c(Cl)cn1)C1CCCNC1.
What is the InChIKey of N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is ZJOBAUSLTXSXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O/c26-21-15-29-24(31-25(33)19-4-2-9-28-14-19)12-20(21)18-5-6-22-23(11-18)32(16-30-22)10-7-17-3-1-8-27-13-17/h1,3,5-6,8,11-13,15-16,19,28H,2,4,7,9-10,14H2,(H,29,31,33).
What are the key properties of N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 460.97 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 140653382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).