6-(4-cyclohexylphenyl)pyridine-3-carboxamide

C18H20N2O — CID 174740670

IUPAC6-(4-cyclohexylphenyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)nc1
InChIInChI=1S/C18H20N2O/c19-18(21)16-10-11-17(20-12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-13H,1-5H2,(H2,19,21)
InChIKeyWJNGSDSFNFBGFN-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.90
Rot. Bonds3

About 6-(4-cyclohexylphenyl)pyridine-3-carboxamide

6-(4-cyclohexylphenyl)pyridine-3-carboxamide (PubChem CID 174740670) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-(4-cyclohexylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-cyclohexylphenyl)pyridine-3-carboxamide
PubChem CID174740670
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name6-(4-cyclohexylphenyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)nc1
InChIInChI=1S/C18H20N2O/c19-18(21)16-10-11-17(20-12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-13H,1-5H2,(H2,19,21)
InChIKeyWJNGSDSFNFBGFN-UHFFFAOYSA-N
XLogP3.90
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-cyclohexylphenyl)pyridine-3-carboxamide (CID 174740670) is 6-(4-cyclohexylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-cyclohexylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-cyclohexylphenyl)pyridine-3-carboxamide is NC(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)nc1.
What is the InChIKey of 6-(4-cyclohexylphenyl)pyridine-3-carboxamide?
The InChIKey is WJNGSDSFNFBGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-18(21)16-10-11-17(20-12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-13H,1-5H2,(H2,19,21).
What are the key properties of 6-(4-cyclohexylphenyl)pyridine-3-carboxamide?
6-(4-cyclohexylphenyl)pyridine-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 174740670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).