(E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide

C21H18N2O — CID 889937

IUPAC(E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide
SMILESCc1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H18N2O/c1-16-9-8-14-20(22-16)23-21(24)19(18-12-6-3-7-13-18)15-17-10-4-2-5-11-17/h2-15H,1H3,(H,22,23,24)/b19-15+
InChIKeyNOWPOURACYVDGY-XDJHFCHBSA-N
MW314.39 g/mol
LogP4.57
Rot. Bonds4

About (E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide

(E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide (PubChem CID 889937) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is (E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide
PubChem CID889937
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name(E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide
SMILESCc1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H18N2O/c1-16-9-8-14-20(22-16)23-21(24)19(18-12-6-3-7-13-18)15-17-10-4-2-5-11-17/h2-15H,1H3,(H,22,23,24)/b19-15+
InChIKeyNOWPOURACYVDGY-XDJHFCHBSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.57
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

2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide
CID 4121626
(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 890524
2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 3336662
(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373
N-(2-methylphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997672
N-(4-carbamoylphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 108525732
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
(E)-3-(4-tert-butylphenyl)-2-cyano-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 948947
2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290
(E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide
CID 19170307
(Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide
CID 2190509

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide (CID 889937) is (E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide is Cc1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)n1.
What is the InChIKey of (E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide?
The InChIKey is NOWPOURACYVDGY-XDJHFCHBSA-N. The full InChI is InChI=1S/C21H18N2O/c1-16-9-8-14-20(22-16)23-21(24)19(18-12-6-3-7-13-18)15-17-10-4-2-5-11-17/h2-15H,1H3,(H,22,23,24)/b19-15+.
What are the key properties of (E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide?
(E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide has a molecular weight of 314.39 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 889937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).