(6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one

C19H22N2O — CID 143852434

IUPAC(6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one
SMILESC=C(C)/C=c1\c(=CC)cc(-c2cc(N)ccc2C)c(=O)n1C
InChIInChI=1S/C19H22N2O/c1-6-14-10-17(16-11-15(20)8-7-13(16)4)19(22)21(5)18(14)9-12(2)3/h6-11H,2,20H2,1,3-5H3/b14-6?,18-9+
InChIKeyLOTYKYVZSHOWNH-BVWXBKQFSA-N
MW294.40 g/mol
LogP2.10
Rot. Bonds2

About (6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one

(6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one (PubChem CID 143852434) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one.

Molecular Properties

Compound Name(6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one
PubChem CID143852434
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one
SMILESC=C(C)/C=c1\c(=CC)cc(-c2cc(N)ccc2C)c(=O)n1C
InChIInChI=1S/C19H22N2O/c1-6-14-10-17(16-11-15(20)8-7-13(16)4)19(22)21(5)18(14)9-12(2)3/h6-11H,2,20H2,1,3-5H3/b14-6?,18-9+
InChIKeyLOTYKYVZSHOWNH-BVWXBKQFSA-N
XLogP2.10
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one?
The IUPAC name of (6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one (CID 143852434) is (6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one.
What is the SMILES notation for (6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one?
The canonical SMILES for (6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one is C=C(C)/C=c1\c(=CC)cc(-c2cc(N)ccc2C)c(=O)n1C.
What is the InChIKey of (6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one?
The InChIKey is LOTYKYVZSHOWNH-BVWXBKQFSA-N. The full InChI is InChI=1S/C19H22N2O/c1-6-14-10-17(16-11-15(20)8-7-13(16)4)19(22)21(5)18(14)9-12(2)3/h6-11H,2,20H2,1,3-5H3/b14-6?,18-9+.
What are the key properties of (6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one?
(6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one has a molecular weight of 294.40 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one is sourced from PubChem (CID 143852434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).