6-(4-cyclobutylphenyl)pyridine-2-carboxamide

C16H16N2O — CID 144717319

IUPAC6-(4-cyclobutylphenyl)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(C3CCC3)cc2)n1
InChIInChI=1S/C16H16N2O/c17-16(19)15-6-2-5-14(18-15)13-9-7-12(8-10-13)11-3-1-4-11/h2,5-11H,1,3-4H2,(H2,17,19)
InChIKeyCCTBWFKTSVGSJP-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.12
Rot. Bonds3

About 6-(4-cyclobutylphenyl)pyridine-2-carboxamide

6-(4-cyclobutylphenyl)pyridine-2-carboxamide (PubChem CID 144717319) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-(4-cyclobutylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-cyclobutylphenyl)pyridine-2-carboxamide
PubChem CID144717319
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name6-(4-cyclobutylphenyl)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(C3CCC3)cc2)n1
InChIInChI=1S/C16H16N2O/c17-16(19)15-6-2-5-14(18-15)13-9-7-12(8-10-13)11-3-1-4-11/h2,5-11H,1,3-4H2,(H2,17,19)
InChIKeyCCTBWFKTSVGSJP-UHFFFAOYSA-N
XLogP3.12
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclobutylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-cyclobutylphenyl)pyridine-2-carboxamide (CID 144717319) is 6-(4-cyclobutylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-cyclobutylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-cyclobutylphenyl)pyridine-2-carboxamide is NC(=O)c1cccc(-c2ccc(C3CCC3)cc2)n1.
What is the InChIKey of 6-(4-cyclobutylphenyl)pyridine-2-carboxamide?
The InChIKey is CCTBWFKTSVGSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-16(19)15-6-2-5-14(18-15)13-9-7-12(8-10-13)11-3-1-4-11/h2,5-11H,1,3-4H2,(H2,17,19).
What are the key properties of 6-(4-cyclobutylphenyl)pyridine-2-carboxamide?
6-(4-cyclobutylphenyl)pyridine-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclobutylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 144717319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).