N-(4-butan-2-ylphenyl)pyridine-3-carboxamide

C16H18N2O — CID 2842749

IUPACN-(4-butan-2-ylphenyl)pyridine-3-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H18N2O/c1-3-12(2)13-6-8-15(9-7-13)18-16(19)14-5-4-10-17-11-14/h4-12H,3H2,1-2H3,(H,18,19)
InChIKeySUEPHJZWOCMERQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.85
Rot. Bonds4

About N-(4-butan-2-ylphenyl)pyridine-3-carboxamide

N-(4-butan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 2842749) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID2842749
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(4-butan-2-ylphenyl)pyridine-3-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H18N2O/c1-3-12(2)13-6-8-15(9-7-13)18-16(19)14-5-4-10-17-11-14/h4-12H,3H2,1-2H3,(H,18,19)
InChIKeySUEPHJZWOCMERQ-UHFFFAOYSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-butan-2-ylphenyl)pyridine-3-carboxamide (CID 2842749) is N-(4-butan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)pyridine-3-carboxamide is CCC(C)c1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is SUEPHJZWOCMERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-12(2)13-6-8-15(9-7-13)18-16(19)14-5-4-10-17-11-14/h4-12H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(4-butan-2-ylphenyl)pyridine-3-carboxamide?
N-(4-butan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2842749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).