6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide

C17H17ClN2O2 — CID 46579918

IUPAC6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(OC2CCCC2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C17H17ClN2O2/c18-16-9-8-12(11-19-16)17(21)20-13-4-3-7-15(10-13)22-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,20,21)
InChIKeyIYVZNNZWQUXKPR-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.31
Rot. Bonds4

About 6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide

6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide (PubChem CID 46579918) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide
PubChem CID46579918
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(OC2CCCC2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C17H17ClN2O2/c18-16-9-8-12(11-19-16)17(21)20-13-4-3-7-15(10-13)22-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,20,21)
InChIKeyIYVZNNZWQUXKPR-UHFFFAOYSA-N
XLogP4.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.31
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

6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide
CID 47380551
4-(2-amino-2-oxoethoxy)-N-(3-cyclopentyloxyphenyl)benzamide
CID 36546121
6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide
CID 106911694
N-(3-chlorophenyl)-6-[(3-methoxycyclohexyl)amino]pyridine-3-carboxamide
CID 133399410
N-(3-cyclopentyloxyphenyl)-5-methylfuran-2-carboxamide
CID 690631
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
N-(3-cyclopentyloxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 30806337
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 9071047
6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 60613227
cyclohexyl 6-chloropyridine-3-carboxylate
CID 60716124

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide (CID 46579918) is 6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide is O=C(Nc1cccc(OC2CCCC2)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide?
The InChIKey is IYVZNNZWQUXKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-16-9-8-12(11-19-16)17(21)20-13-4-3-7-15(10-13)22-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,20,21).
What are the key properties of 6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide?
6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 46579918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).