ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide

C13H18N2O — CID 142030699

IUPACethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide
SMILESC=C/C=c1/cc(C(N)=O)cn/c1=C/C.CC
InChIInChI=1S/C11H12N2O.C2H6/c1-3-5-8-6-9(11(12)14)7-13-10(8)4-2;1-2/h3-7H,1H2,2H3,(H2,12,14);1-2H3/b8-5-,10-4+;
InChIKeyJYFNQNUAUHEDEA-XPULTINCSA-N
MW218.30 g/mol
LogP0.97
Rot. Bonds2

About ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide

ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide (PubChem CID 142030699) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide
PubChem CID142030699
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nameethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide
SMILESC=C/C=c1/cc(C(N)=O)cn/c1=C/C.CC
InChIInChI=1S/C11H12N2O.C2H6/c1-3-5-8-6-9(11(12)14)7-13-10(8)4-2;1-2/h3-7H,1H2,2H3,(H2,12,14);1-2H3/b8-5-,10-4+;
InChIKeyJYFNQNUAUHEDEA-XPULTINCSA-N
XLogP0.97
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide?
The IUPAC name of ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide (CID 142030699) is ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide.
What is the SMILES notation for ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide?
The canonical SMILES for ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide is C=C/C=c1/cc(C(N)=O)cn/c1=C/C.CC.
What is the InChIKey of ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide?
The InChIKey is JYFNQNUAUHEDEA-XPULTINCSA-N. The full InChI is InChI=1S/C11H12N2O.C2H6/c1-3-5-8-6-9(11(12)14)7-13-10(8)4-2;1-2/h3-7H,1H2,2H3,(H2,12,14);1-2H3/b8-5-,10-4+;.
What are the key properties of ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide?
ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxamide is sourced from PubChem (CID 142030699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).