(2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide

C13H16N2O — CID 99633361

IUPAC(2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide
SMILESC/C=C(\C=C\C(=O)Nc1cccnc1)CC
InChIInChI=1S/C13H16N2O/c1-3-11(4-2)7-8-13(16)15-12-6-5-9-14-10-12/h3,5-10H,4H2,1-2H3,(H,15,16)/b8-7+,11-3-
InChIKeyPQAFCZYGLHRDDG-BSFGFYRWSA-N
MW216.28 g/mol
LogP2.93
Rot. Bonds4

About (2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide

(2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide (PubChem CID 99633361) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide
PubChem CID99633361
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide
SMILESC/C=C(\C=C\C(=O)Nc1cccnc1)CC
InChIInChI=1S/C13H16N2O/c1-3-11(4-2)7-8-13(16)15-12-6-5-9-14-10-12/h3,5-10H,4H2,1-2H3,(H,15,16)/b8-7+,11-3-
InChIKeyPQAFCZYGLHRDDG-BSFGFYRWSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.93
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)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 110488978
(E,4E)-4-benzylidene-N-phenylhex-2-enamide
CID 44565300
3-cyclopropyl-N-pyridin-3-ylbut-2-enamide
CID 47303477
methyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate
CID 19890803
3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 5211022
(E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 126493187
methyl 4-[(E)-3-oxo-3-(pyridin-3-ylamino)prop-1-enyl]benzoate
CID 26592488
(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 879707
1-ethyl-1-hydroxy-3-pyridin-3-ylurea
CID 130385554
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
(5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one
CID 143955611
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide (CID 99633361) is (2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide is C/C=C(\C=C\C(=O)Nc1cccnc1)CC.
What is the InChIKey of (2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide?
The InChIKey is PQAFCZYGLHRDDG-BSFGFYRWSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-11(4-2)7-8-13(16)15-12-6-5-9-14-10-12/h3,5-10H,4H2,1-2H3,(H,15,16)/b8-7+,11-3-.
What are the key properties of (2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide?
(2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide has a molecular weight of 216.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide is sourced from PubChem (CID 99633361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).