(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide

C10H12N2O — CID 131236538

IUPAC(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide
SMILESCCNC(=O)/C=C/c1ccncc1
InChIInChI=1S/C10H12N2O/c1-2-12-10(13)4-3-9-5-7-11-8-6-9/h3-8H,2H2,1H3,(H,12,13)/b4-3+
InChIKeyHZLTUBLYPDWCES-ONEGZZNKSA-N
MW176.22 g/mol
LogP1.23
Rot. Bonds3

About (E)-N-ethyl-3-pyridin-4-ylprop-2-enamide

(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide (PubChem CID 131236538) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (E)-N-ethyl-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide
PubChem CID131236538
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide
SMILESCCNC(=O)/C=C/c1ccncc1
InChIInChI=1S/C10H12N2O/c1-2-12-10(13)4-3-9-5-7-11-8-6-9/h3-8H,2H2,1H3,(H,12,13)/b4-3+
InChIKeyHZLTUBLYPDWCES-ONEGZZNKSA-N
XLogP1.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362
(E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide
CID 46546878
(E)-3-pyridin-4-ylprop-2-enehydrazide
CID 5473676
(E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide
CID 39585351
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 895858
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 34908473
methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate
CID 101358930
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide
CID 73014365
(E)-N-[2-(3-methoxyphenoxy)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 39620882
(E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
CID 60556286

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-pyridin-4-ylprop-2-enamide (CID 131236538) is (E)-N-ethyl-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-pyridin-4-ylprop-2-enamide is CCNC(=O)/C=C/c1ccncc1.
What is the InChIKey of (E)-N-ethyl-3-pyridin-4-ylprop-2-enamide?
The InChIKey is HZLTUBLYPDWCES-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-12-10(13)4-3-9-5-7-11-8-6-9/h3-8H,2H2,1H3,(H,12,13)/b4-3+.
What are the key properties of (E)-N-ethyl-3-pyridin-4-ylprop-2-enamide?
(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide has a molecular weight of 176.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 131236538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).