2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide

C17H16Cl2N2O — CID 125491455

IUPAC2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1)c1cccnc1Cl
InChIInChI=1S/C17H16Cl2N2O/c18-12-8-6-11(7-9-12)13-3-1-5-15(13)21-17(22)14-4-2-10-20-16(14)19/h2,4,6-10,13,15H,1,3,5H2,(H,21,22)/t13-,15+/m0/s1
InChIKeyZIEMXVKUDFTBNS-DZGCQCFKSA-N
MW335.23 g/mol
LogP4.45
Rot. Bonds3

About 2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide

2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide (PubChem CID 125491455) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is 2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
PubChem CID125491455
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1)c1cccnc1Cl
InChIInChI=1S/C17H16Cl2N2O/c18-12-8-6-11(7-9-12)13-3-1-5-15(13)21-17(22)14-4-2-10-20-16(14)19/h2,4,6-10,13,15H,1,3,5H2,(H,21,22)/t13-,15+/m0/s1
InChIKeyZIEMXVKUDFTBNS-DZGCQCFKSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(1S,2R)-2-(2-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491090
2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide
CID 125490711
N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide
CID 125491431
N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 125465080
2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide
CID 11661679
2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102796878
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide
CID 123946452
N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide
CID 97333744
2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 21487786
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 60727535
2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide
CID 60728134

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide (CID 125491455) is 2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide?
The InChIKey is ZIEMXVKUDFTBNS-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-12-8-6-11(7-9-12)13-3-1-5-15(13)21-17(22)14-4-2-10-20-16(14)19/h2,4,6-10,13,15H,1,3,5H2,(H,21,22)/t13-,15+/m0/s1.
What are the key properties of 2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide?
2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide has a molecular weight of 335.23 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 125491455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).