N-(4-phenylbutan-2-yl)pyridine-3-carboxamide

C16H18N2O — CID 3246803

IUPACN-(4-phenylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cccnc1
InChIInChI=1S/C16H18N2O/c1-13(9-10-14-6-3-2-4-7-14)18-16(19)15-8-5-11-17-12-15/h2-8,11-13H,9-10H2,1H3,(H,18,19)
InChIKeyQYLRJPYLDJPSBC-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.83
Rot. Bonds5

About N-(4-phenylbutan-2-yl)pyridine-3-carboxamide

N-(4-phenylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 3246803) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)pyridine-3-carboxamide
PubChem CID3246803
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(4-phenylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cccnc1
InChIInChI=1S/C16H18N2O/c1-13(9-10-14-6-3-2-4-7-14)18-16(19)15-8-5-11-17-12-15/h2-8,11-13H,9-10H2,1H3,(H,18,19)
InChIKeyQYLRJPYLDJPSBC-UHFFFAOYSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)pyridine-3-carboxamide (CID 3246803) is N-(4-phenylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)pyridine-3-carboxamide is CC(CCc1ccccc1)NC(=O)c1cccnc1.
What is the InChIKey of N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is QYLRJPYLDJPSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13(9-10-14-6-3-2-4-7-14)18-16(19)15-8-5-11-17-12-15/h2-8,11-13H,9-10H2,1H3,(H,18,19).
What are the key properties of N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
N-(4-phenylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 3246803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).