2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide

C28H37ClN4O2 — CID 134437536

IUPAC2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(CCCNC(=O)C3(c4ccccc4)CCCC3)CC2)nc1Cl
InChIInChI=1S/C28H37ClN4O2/c1-32(2)26(34)23-12-13-24(31-25(23)29)33-19-14-21(15-20-33)9-8-18-30-27(35)28(16-6-7-17-28)22-10-4-3-5-11-22/h3-5,10-13,21H,6-9,14-20H2,1-2H3,(H,30,35)
InChIKeyQYRSKUMAQQGXDQ-UHFFFAOYSA-N
MW497.08 g/mol
LogP5.06
Rot. Bonds8

About 2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide

2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 134437536) has the molecular formula C28H37ClN4O2 and a molecular weight of 497.08 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID134437536
Molecular FormulaC28H37ClN4O2
Molecular Weight497.08 g/mol
Exact Mass496.26
IUPAC Name2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(CCCNC(=O)C3(c4ccccc4)CCCC3)CC2)nc1Cl
InChIInChI=1S/C28H37ClN4O2/c1-32(2)26(34)23-12-13-24(31-25(23)29)33-19-14-21(15-20-33)9-8-18-30-27(35)28(16-6-7-17-28)22-10-4-3-5-11-22/h3-5,10-13,21H,6-9,14-20H2,1-2H3,(H,30,35)
InChIKeyQYRSKUMAQQGXDQ-UHFFFAOYSA-N
XLogP5.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.08
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-chloro-N,N-dimethyl-6-[4-[3-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
CID 134437316
2-chloro-N,N-dimethyl-6-[4-[3-[[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
CID 142321357
2-chloro-6-[4-[3-[[(2S)-3,3-difluoro-2-hydroxy-3-iodo-2-phenylpropanoyl]amino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 166750653
2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane
CID 142321263
2-chloro-6-[4-[3-[[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]amino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 142321356
2-chloro-6-[4-[3-[(2-cyclobutyl-2-hydroxy-2-phenylacetyl)-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 134437562
2-chloro-6-[4-[3-[[2-(2-chlorophenyl)oxolane-2-carbonyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 146316172
2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
CID 146316190
2-chloro-N,N-dimethyl-6-[4-[3-[[3,3,3-trifluoro-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
CID 134437534
6-[4-[3-[(2-amino-2-phenylacetyl)-methylamino]propyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;fluoroform
CID 142321325
2-chloro-N,N-dimethyl-6-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 129146151
2-chloro-6-[4-[3-[(3S)-3-ethenyl-3-fluoro-2-methyl-1-oxo-5-oxa-2λ4-thiaspiro[3.4]octan-2-yl]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 166750610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide (CID 134437536) is 2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide is CN(C)C(=O)c1ccc(N2CCC(CCCNC(=O)C3(c4ccccc4)CCCC3)CC2)nc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is QYRSKUMAQQGXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN4O2/c1-32(2)26(34)23-12-13-24(31-25(23)29)33-19-14-21(15-20-33)9-8-18-30-27(35)28(16-6-7-17-28)22-10-4-3-5-11-22/h3-5,10-13,21H,6-9,14-20H2,1-2H3,(H,30,35).
What are the key properties of 2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?
2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 497.08 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134437536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).