2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide

C16H18N2O2 — CID 18107552

IUPAC2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H18N2O2/c1-12(9-10-13-6-3-2-4-7-13)18-16(20)14-8-5-11-17-15(14)19/h2-8,11-12H,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyUMRVCOZBLXXMGB-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.13
Rot. Bonds5

About 2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide

2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide (PubChem CID 18107552) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide
PubChem CID18107552
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H18N2O2/c1-12(9-10-13-6-3-2-4-7-13)18-16(20)14-8-5-11-17-15(14)19/h2-8,11-12H,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyUMRVCOZBLXXMGB-UHFFFAOYSA-N
XLogP2.13
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide (CID 18107552) is 2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide is CC(CCc1ccccc1)NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide?
The InChIKey is UMRVCOZBLXXMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(9-10-13-6-3-2-4-7-13)18-16(20)14-8-5-11-17-15(14)19/h2-8,11-12H,9-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide?
2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 18107552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).