6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide

C18H19ClN2O — CID 71087708

IUPAC6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H19ClN2O/c19-14-7-4-6-13(12-14)16-10-5-11-17(21-16)18(22)20-15-8-2-1-3-9-15/h4-7,10-12,15H,1-3,8-9H2,(H,20,22)
InChIKeyCGMPXWDHCXOJLA-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.46
Rot. Bonds3

About 6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide

6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide (PubChem CID 71087708) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide
PubChem CID71087708
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H19ClN2O/c19-14-7-4-6-13(12-14)16-10-5-11-17(21-16)18(22)20-15-8-2-1-3-9-15/h4-7,10-12,15H,1-3,8-9H2,(H,20,22)
InChIKeyCGMPXWDHCXOJLA-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide (CID 71087708) is 6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide is O=C(NC1CCCCC1)c1cccc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide?
The InChIKey is CGMPXWDHCXOJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-14-7-4-6-13(12-14)16-10-5-11-17(21-16)18(22)20-15-8-2-1-3-9-15/h4-7,10-12,15H,1-3,8-9H2,(H,20,22).
What are the key properties of 6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide?
6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide has a molecular weight of 314.82 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide is sourced from PubChem (CID 71087708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).