N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide

C18H19ClN2O — CID 110360995

IUPACN-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(Cc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O/c19-16-7-9-17(10-8-16)21(13-14-4-3-11-20-12-14)18(22)15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13H2
InChIKeyLYIHBDKUCRBYJU-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.46
Rot. Bonds4

About N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide

N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide (PubChem CID 110360995) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
PubChem CID110360995
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC NameN-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(Cc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O/c19-16-7-9-17(10-8-16)21(13-14-4-3-11-20-12-14)18(22)15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13H2
InChIKeyLYIHBDKUCRBYJU-UHFFFAOYSA-N
XLogP4.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360406
N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46046086
ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110361011
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 168853651
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 43968066
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 43966915
N-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide
CID 7495366
2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 62586659
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110426908
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 43965989
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 43967915
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 71938987

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide (CID 110360995) is N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide is O=C(C1CCCC1)N(Cc1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide?
The InChIKey is LYIHBDKUCRBYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-16-7-9-17(10-8-16)21(13-14-4-3-11-20-12-14)18(22)15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13H2.
What are the key properties of N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide?
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide has a molecular weight of 314.82 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide is sourced from PubChem (CID 110360995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).