ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide

C15H20N2O — CID 142302144

IUPACethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide
SMILESC=C/C=C(\C=C)NC(=O)c1cncc(C)c1.CC
InChIInChI=1S/C13H14N2O.C2H6/c1-4-6-12(5-2)15-13(16)11-7-10(3)8-14-9-11;1-2/h4-9H,1-2H2,3H3,(H,15,16);1-2H3/b12-6+;
InChIKeyNLHABDFBQHIPSN-WXIWBVQFSA-N
MW244.34 g/mol
LogP3.40
Rot. Bonds4

About ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide

ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide (PubChem CID 142302144) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide
PubChem CID142302144
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Nameethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide
SMILESC=C/C=C(\C=C)NC(=O)c1cncc(C)c1.CC
InChIInChI=1S/C13H14N2O.C2H6/c1-4-6-12(5-2)15-13(16)11-7-10(3)8-14-9-11;1-2/h4-9H,1-2H2,3H3,(H,15,16);1-2H3/b12-6+;
InChIKeyNLHABDFBQHIPSN-WXIWBVQFSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide?
The IUPAC name of ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide (CID 142302144) is ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide is C=C/C=C(\C=C)NC(=O)c1cncc(C)c1.CC.
What is the InChIKey of ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide?
The InChIKey is NLHABDFBQHIPSN-WXIWBVQFSA-N. The full InChI is InChI=1S/C13H14N2O.C2H6/c1-4-6-12(5-2)15-13(16)11-7-10(3)8-14-9-11;1-2/h4-9H,1-2H2,3H3,(H,15,16);1-2H3/b12-6+;.
What are the key properties of ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide?
ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 142302144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).