2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide

C17H22N2O2 — CID 126538734

IUPAC2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C/C=C/CN1CC=CC(=C)C1=O)C(=O)C(=C)C
InChIInChI=1S/C17H22N2O2/c1-5-10-18(16(20)14(2)3)11-6-7-12-19-13-8-9-15(4)17(19)21/h5-9H,1-2,4,10-13H2,3H3/b7-6+
InChIKeyPQOFDQJIBGEBNU-VOTSOKGWSA-N
MW286.38 g/mol
LogP2.09
Rot. Bonds7

About 2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide

2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide (PubChem CID 126538734) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide
PubChem CID126538734
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C/C=C/CN1CC=CC(=C)C1=O)C(=O)C(=C)C
InChIInChI=1S/C17H22N2O2/c1-5-10-18(16(20)14(2)3)11-6-7-12-19-13-8-9-15(4)17(19)21/h5-9H,1-2,4,10-13H2,3H3/b7-6+
InChIKeyPQOFDQJIBGEBNU-VOTSOKGWSA-N
XLogP2.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide?
The IUPAC name of 2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide (CID 126538734) is 2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide?
The canonical SMILES for 2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide is C=CCN(C/C=C/CN1CC=CC(=C)C1=O)C(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide?
The InChIKey is PQOFDQJIBGEBNU-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-10-18(16(20)14(2)3)11-6-7-12-19-13-8-9-15(4)17(19)21/h5-9H,1-2,4,10-13H2,3H3/b7-6+.
What are the key properties of 2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide?
2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide has a molecular weight of 286.38 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-4-(5-methylidene-6-oxo-2H-pyridin-1-yl)but-2-enyl]-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 126538734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).