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

C16H16N2O2 — CID 134998602

IUPACN-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide
SMILESO=CC(CCc1ccccc1)NC(=O)c1ccccn1
InChIInChI=1S/C16H16N2O2/c19-12-14(10-9-13-6-2-1-3-7-13)18-16(20)15-8-4-5-11-17-15/h1-8,11-12,14H,9-10H2,(H,18,20)
InChIKeyAYIUVSGXXGAHQH-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.01
Rot. Bonds6

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

N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 134998602) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide
PubChem CID134998602
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide
SMILESO=CC(CCc1ccccc1)NC(=O)c1ccccn1
InChIInChI=1S/C16H16N2O2/c19-12-14(10-9-13-6-2-1-3-7-13)18-16(20)15-8-4-5-11-17-15/h1-8,11-12,14H,9-10H2,(H,18,20)
InChIKeyAYIUVSGXXGAHQH-UHFFFAOYSA-N
XLogP2.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide
CID 173252408
N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 72711534
N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide
CID 134998800
N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 57228537
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
N-(1-oxo-4-phenylbutan-2-yl)formamide
CID 72648475
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide
CID 20666700
4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 173354336
N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide
CID 45244793
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid
CID 134329104
N'-benzylpyridine-2-carbohydrazide;hydrobromide
CID 163533434

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide (CID 134998602) is N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide is O=CC(CCc1ccccc1)NC(=O)c1ccccn1.
What is the InChIKey of N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is AYIUVSGXXGAHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-12-14(10-9-13-6-2-1-3-7-13)18-16(20)15-8-4-5-11-17-15/h1-8,11-12,14H,9-10H2,(H,18,20).
What are the key properties of N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide?
N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134998602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).