(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide

C21H18N2O — CID 889128

IUPAC(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
SMILESO=C(NCc1ccncc1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O/c24-21(23-16-18-11-13-22-14-12-18)20(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-15H,16H2,(H,23,24)/b20-15+
InChIKeyAEYYDOVIHFVRCW-HMMYKYKNSA-N
MW314.39 g/mol
LogP3.94
Rot. Bonds5

About (E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide

(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide (PubChem CID 889128) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is (E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
PubChem CID889128
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
SMILESO=C(NCc1ccncc1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O/c24-21(23-16-18-11-13-22-14-12-18)20(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-15H,16H2,(H,23,24)/b20-15+
InChIKeyAEYYDOVIHFVRCW-HMMYKYKNSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide
CID 6523064
(2Z)-2-benzylidene-N-hydroxy-N'-(pyridin-4-ylmethyl)propanediamide
CID 71455609
N-[(Z)-1-(4-fluorophenyl)-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
CID 2891645
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
CID 2897013
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 749217
N-[(E)-1-(4-methoxyphenyl)-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
CID 1345628
4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide
CID 25265745
(E)-3-[4-(difluoromethoxy)phenyl]-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 2310363
(E)-3-(4-fluorophenyl)-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]-2-phenylprop-2-enamide
CID 59475037
(E)-3-(4-ethoxyphenyl)-2-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108771112
(E)-N-(2-methoxyethyl)-2,3-diphenylprop-2-enamide
CID 19174350
2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 17200377

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide (CID 889128) is (E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide is O=C(NCc1ccncc1)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide?
The InChIKey is AEYYDOVIHFVRCW-HMMYKYKNSA-N. The full InChI is InChI=1S/C21H18N2O/c24-21(23-16-18-11-13-22-14-12-18)20(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-15H,16H2,(H,23,24)/b20-15+.
What are the key properties of (E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide?
(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide has a molecular weight of 314.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 889128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).