2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide

C17H16Cl2N2O2 — CID 60574786

IUPAC2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1ccnc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c18-14-10-12(5-6-15(14)23-13-3-1-2-4-13)21-17(22)11-7-8-20-16(19)9-11/h5-10,13H,1-4H2,(H,21,22)
InChIKeyJAKBYWMSCTUVSB-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.96
Rot. Bonds4

About 2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide

2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide (PubChem CID 60574786) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide
PubChem CID60574786
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1ccnc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c18-14-10-12(5-6-15(14)23-13-3-1-2-4-13)21-17(22)11-7-8-20-16(19)9-11/h5-10,13H,1-4H2,(H,21,22)
InChIKeyJAKBYWMSCTUVSB-UHFFFAOYSA-N
XLogP4.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 46398912
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60693051
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
CID 61040886
N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-4-carboxamide
CID 141478664
2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119748052
2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
CID 32696205
(2R)-2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119302889
2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60795263
N-(3-chloro-4-cyclopentyloxyphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 60574699
2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
CID 55043717
2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 34746930
N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide
CID 51092092

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide (CID 60574786) is 2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide is O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide?
The InChIKey is JAKBYWMSCTUVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-14-10-12(5-6-15(14)23-13-3-1-2-4-13)21-17(22)11-7-8-20-16(19)9-11/h5-10,13H,1-4H2,(H,21,22).
What are the key properties of 2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide?
2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide has a molecular weight of 351.23 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 60574786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).