N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide

C19H20N2O2 — CID 21190834

IUPACN-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
SMILESCCCC(C=O)NC(=O)c1ccccc1/C=C/c1ccncc1
InChIInChI=1S/C19H20N2O2/c1-2-5-17(14-22)21-19(23)18-7-4-3-6-16(18)9-8-15-10-12-20-13-11-15/h3-4,6-14,17H,2,5H2,1H3,(H,21,23)/b9-8+
InChIKeyLOQZOHJDINJKFZ-CMDGGOBGSA-N
MW308.38 g/mol
LogP3.35
Rot. Bonds7

About N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide

N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide (PubChem CID 21190834) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide.

Molecular Properties

Compound NameN-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
PubChem CID21190834
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
SMILESCCCC(C=O)NC(=O)c1ccccc1/C=C/c1ccncc1
InChIInChI=1S/C19H20N2O2/c1-2-5-17(14-22)21-19(23)18-7-4-3-6-16(18)9-8-15-10-12-20-13-11-15/h3-4,6-14,17H,2,5H2,1H3,(H,21,23)/b9-8+
InChIKeyLOQZOHJDINJKFZ-CMDGGOBGSA-N
XLogP3.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.35
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-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 21190789
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide
CID 91158500
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666642
4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide
CID 59959708
2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
CID 122142222
N-ethylethanamine;4-(2-phenylethenyl)pyridine
CID 67628430
N-[(2R)-5-amino-1-oxopentan-2-yl]-2-chloropyridine-3-carboxamide
CID 174451033
N-(4-ethylphenyl)-2-[(E)-2-phenylethenyl]benzamide
CID 72696812
N-(5-cyanopent-1-en-3-yl)-2-formylbenzamide
CID 89362802
2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide
CID 107358466
N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide
CID 89169267
CID 91112579
CID 91112579

Frequently Asked Questions

What is the IUPAC name of N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide?
The IUPAC name of N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide (CID 21190834) is N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide.
What is the SMILES notation for N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide?
The canonical SMILES for N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide is CCCC(C=O)NC(=O)c1ccccc1/C=C/c1ccncc1.
What is the InChIKey of N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide?
The InChIKey is LOQZOHJDINJKFZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-5-17(14-22)21-19(23)18-7-4-3-6-16(18)9-8-15-10-12-20-13-11-15/h3-4,6-14,17H,2,5H2,1H3,(H,21,23)/b9-8+.
What are the key properties of N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide?
N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide has a molecular weight of 308.38 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide is sourced from PubChem (CID 21190834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).