(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide

C12H14N2O — CID 13405147

IUPAC(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCc1cccnc1
InChIInChI=1S/C12H14N2O/c1-2-3-4-7-12(15)14-10-11-6-5-8-13-9-11/h2-9H,10H2,1H3,(H,14,15)/b3-2+,7-4+
InChIKeySLWWWAQPPKEALA-AOGGBPEJSA-N
MW202.26 g/mol
LogP1.83
Rot. Bonds4

About (2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide

(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide (PubChem CID 13405147) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
PubChem CID13405147
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCc1cccnc1
InChIInChI=1S/C12H14N2O/c1-2-3-4-7-12(15)14-10-11-6-5-8-13-9-11/h2-9H,10H2,1H3,(H,14,15)/b3-2+,7-4+
InChIKeySLWWWAQPPKEALA-AOGGBPEJSA-N
XLogP1.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 71321108
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
N-[[3-(hydroxymethyl)phenyl]methyl]hexa-2,4-dienamide
CID 76990334
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
(E)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 847396
3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 4606451
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
N-(pyridin-2-ylmethyl)hexa-2,4-dienamide
CID 76860381
(E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 890933
(E)-3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 27396984
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
(E)-3-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 22087304

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide (CID 13405147) is (2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)NCc1cccnc1.
What is the InChIKey of (2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide?
The InChIKey is SLWWWAQPPKEALA-AOGGBPEJSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-3-4-7-12(15)14-10-11-6-5-8-13-9-11/h2-9H,10H2,1H3,(H,14,15)/b3-2+,7-4+.
What are the key properties of (2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide?
(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide has a molecular weight of 202.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide is sourced from PubChem (CID 13405147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).