5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide

C28H35ClN6O — CID 59427454

IUPAC5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide
SMILESN#Cc1ccc(CN2CCC(N3CCN(c4ncc(C(=O)NC5CCCC5)cc4Cl)CC3)CC2)cc1
InChIInChI=1S/C28H35ClN6O/c29-26-17-23(28(36)32-24-3-1-2-4-24)19-31-27(26)35-15-13-34(14-16-35)25-9-11-33(12-10-25)20-22-7-5-21(18-30)6-8-22/h5-8,17,19,24-25H,1-4,9-16,20H2,(H,32,36)
InChIKeyOTLWATNASHJCMO-UHFFFAOYSA-N
MW507.08 g/mol
LogP4.07
Rot. Bonds6

About 5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide

5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide (PubChem CID 59427454) has the molecular formula C28H35ClN6O and a molecular weight of 507.08 g/mol. Its IUPAC name is 5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide
PubChem CID59427454
Molecular FormulaC28H35ClN6O
Molecular Weight507.08 g/mol
Exact Mass506.26
IUPAC Name5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide
SMILESN#Cc1ccc(CN2CCC(N3CCN(c4ncc(C(=O)NC5CCCC5)cc4Cl)CC3)CC2)cc1
InChIInChI=1S/C28H35ClN6O/c29-26-17-23(28(36)32-24-3-1-2-4-24)19-31-27(26)35-15-13-34(14-16-35)25-9-11-33(12-10-25)20-22-7-5-21(18-30)6-8-22/h5-8,17,19,24-25H,1-4,9-16,20H2,(H,32,36)
InChIKeyOTLWATNASHJCMO-UHFFFAOYSA-N
XLogP4.07
TPSA75.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.08
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-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

5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen
CID 158191635
N-benzyl-5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
CID 11533834
5-chloro-N-[(4-chlorophenyl)methyl]-6-[4-[1-(4-cyanobenzoyl)piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
CID 59427752
5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-[4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
CID 11685707
5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 53322504
5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
CID 59427408
5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 11713886
5-chloro-6-[4-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 11721363
N-benzyl-6-[4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-chloropyridine-3-carboxamide
CID 11497940
5-chloro-N-(2-phenoxyethyl)-6-[4-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
CID 59427442
5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;molecular hydrogen
CID 160941986
5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]-2-methylpiperidin-4-yl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methyl]pyridine-3-carboxamide
CID 59427546

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide (CID 59427454) is 5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide is N#Cc1ccc(CN2CCC(N3CCN(c4ncc(C(=O)NC5CCCC5)cc4Cl)CC3)CC2)cc1.
What is the InChIKey of 5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide?
The InChIKey is OTLWATNASHJCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN6O/c29-26-17-23(28(36)32-24-3-1-2-4-24)19-31-27(26)35-15-13-34(14-16-35)25-9-11-33(12-10-25)20-22-7-5-21(18-30)6-8-22/h5-8,17,19,24-25H,1-4,9-16,20H2,(H,32,36).
What are the key properties of 5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide?
5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide has a molecular weight of 507.08 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide is sourced from PubChem (CID 59427454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).