(5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide

C13H18N2O — CID 89096766

IUPAC(5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide
SMILESC=C1NC(C(=O)NCC)C=C/C1=C/C=C\C
InChIInChI=1S/C13H18N2O/c1-4-6-7-11-8-9-12(15-10(11)3)13(16)14-5-2/h4,6-9,12,15H,3,5H2,1-2H3,(H,14,16)/b6-4-,11-7-
InChIKeyHTBMURMXHSCXCU-JCVXZYQNSA-N
MW218.30 g/mol
LogP1.67
Rot. Bonds3

About (5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide

(5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide (PubChem CID 89096766) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide.

Molecular Properties

Compound Name(5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide
PubChem CID89096766
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide
SMILESC=C1NC(C(=O)NCC)C=C/C1=C/C=C\C
InChIInChI=1S/C13H18N2O/c1-4-6-7-11-8-9-12(15-10(11)3)13(16)14-5-2/h4,6-9,12,15H,3,5H2,1-2H3,(H,14,16)/b6-4-,11-7-
InChIKeyHTBMURMXHSCXCU-JCVXZYQNSA-N
XLogP1.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide?
The IUPAC name of (5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide (CID 89096766) is (5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide.
What is the SMILES notation for (5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide?
The canonical SMILES for (5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide is C=C1NC(C(=O)NCC)C=C/C1=C/C=C\C.
What is the InChIKey of (5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide?
The InChIKey is HTBMURMXHSCXCU-JCVXZYQNSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-6-7-11-8-9-12(15-10(11)3)13(16)14-5-2/h4,6-9,12,15H,3,5H2,1-2H3,(H,14,16)/b6-4-,11-7-.
What are the key properties of (5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide?
(5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(Z)-but-2-enylidene]-N-ethyl-6-methylidene-1,2-dihydropyridine-2-carboxamide is sourced from PubChem (CID 89096766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).