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

C12H14N2O — CID 76860381

IUPACN-(pyridin-2-ylmethyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCc1ccccn1
InChIInChI=1S/C12H14N2O/c1-2-3-4-8-12(15)14-10-11-7-5-6-9-13-11/h2-9H,10H2,1H3,(H,14,15)
InChIKeyNVVIVWGLOHDMHY-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.83
Rot. Bonds4

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

N-(pyridin-2-ylmethyl)hexa-2,4-dienamide (PubChem CID 76860381) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)hexa-2,4-dienamide
PubChem CID76860381
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-(pyridin-2-ylmethyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCc1ccccn1
InChIInChI=1S/C12H14N2O/c1-2-3-4-8-12(15)14-10-11-7-5-6-9-13-11/h2-9H,10H2,1H3,(H,14,15)
InChIKeyNVVIVWGLOHDMHY-UHFFFAOYSA-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

(E)-N-(pyridin-2-ylmethyl)but-2-enamide
CID 110459675
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 9414496
3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 2929509
(E)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 886894
N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 71321108
(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 13405147
4,4,4-trifluoro-3-methyl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 123609120
(E)-3-(3-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 39366180
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
(E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 8895534
(E)-3-(4-bromothiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 75407879

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)hexa-2,4-dienamide?
The IUPAC name of N-(pyridin-2-ylmethyl)hexa-2,4-dienamide (CID 76860381) is N-(pyridin-2-ylmethyl)hexa-2,4-dienamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)hexa-2,4-dienamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)hexa-2,4-dienamide is CC=CC=CC(=O)NCc1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)hexa-2,4-dienamide?
The InChIKey is NVVIVWGLOHDMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-3-4-8-12(15)14-10-11-7-5-6-9-13-11/h2-9H,10H2,1H3,(H,14,15).
What are the key properties of N-(pyridin-2-ylmethyl)hexa-2,4-dienamide?
N-(pyridin-2-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 N-(pyridin-2-ylmethyl)hexa-2,4-dienamide is sourced from PubChem (CID 76860381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).