4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide

C15H20N2O — CID 173330206

IUPAC4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide
SMILESCC=C(C=CCc1ccnc(C)c1C(N)=O)CC
InChIInChI=1S/C15H20N2O/c1-4-12(5-2)7-6-8-13-9-10-17-11(3)14(13)15(16)18/h4,6-7,9-10H,5,8H2,1-3H3,(H2,16,18)
InChIKeyIDTVJXFPLAVFSO-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.94
Rot. Bonds5

About 4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide

4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide (PubChem CID 173330206) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide
PubChem CID173330206
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide
SMILESCC=C(C=CCc1ccnc(C)c1C(N)=O)CC
InChIInChI=1S/C15H20N2O/c1-4-12(5-2)7-6-8-13-9-10-17-11(3)14(13)15(16)18/h4,6-7,9-10H,5,8H2,1-3H3,(H2,16,18)
InChIKeyIDTVJXFPLAVFSO-UHFFFAOYSA-N
XLogP2.94
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.94
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 4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide (CID 173330206) is 4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide is CC=C(C=CCc1ccnc(C)c1C(N)=O)CC.
What is the InChIKey of 4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide?
The InChIKey is IDTVJXFPLAVFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-12(5-2)7-6-8-13-9-10-17-11(3)14(13)15(16)18/h4,6-7,9-10H,5,8H2,1-3H3,(H2,16,18).
What are the key properties of 4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide?
4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylhexa-2,4-dienyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 173330206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).