2-propyl-2-pyridin-2-ylpent-4-enamide

C13H18N2O — CID 3054961

IUPAC2-propyl-2-pyridin-2-ylpent-4-enamide
SMILESC=CCC(CCC)(C(N)=O)c1ccccn1
InChIInChI=1S/C13H18N2O/c1-3-8-13(9-4-2,12(14)16)11-7-5-6-10-15-11/h3,5-7,10H,1,4,8-9H2,2H3,(H2,14,16)
InChIKeyQCOCNTHCWCKXBU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.18
Rot. Bonds6

About 2-propyl-2-pyridin-2-ylpent-4-enamide

2-propyl-2-pyridin-2-ylpent-4-enamide (PubChem CID 3054961) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-propyl-2-pyridin-2-ylpent-4-enamide.

Molecular Properties

Compound Name2-propyl-2-pyridin-2-ylpent-4-enamide
PubChem CID3054961
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-propyl-2-pyridin-2-ylpent-4-enamide
SMILESC=CCC(CCC)(C(N)=O)c1ccccn1
InChIInChI=1S/C13H18N2O/c1-3-8-13(9-4-2,12(14)16)11-7-5-6-10-15-11/h3,5-7,10H,1,4,8-9H2,2H3,(H2,14,16)
InChIKeyQCOCNTHCWCKXBU-UHFFFAOYSA-N
XLogP2.18
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cotinine
CID 854019
Disopyramide
CID 3114
(+-)-Cotinine
CID 408
Disopyramide Phosphate
CID 30928
Ximelegatran
CID 448042
Mono-N-dealkyldisopyramide
CID 107858
Vamicamide
CID 65967
alpha-(2-(Bis(1-methylethyl)amino)ethyl)-alpha-(2-methylpropyl)-2-pyridineacetamide
CID 65847
Disopyramide, (R)-
CID 156294
Bupicomide
CID 31447
Y-27632 dihydrochloride
CID 9901617
R-(+)-Cotinine
CID 21907

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-pyridin-2-ylpent-4-enamide?
The IUPAC name of 2-propyl-2-pyridin-2-ylpent-4-enamide (CID 3054961) is 2-propyl-2-pyridin-2-ylpent-4-enamide.
What is the SMILES notation for 2-propyl-2-pyridin-2-ylpent-4-enamide?
The canonical SMILES for 2-propyl-2-pyridin-2-ylpent-4-enamide is C=CCC(CCC)(C(N)=O)c1ccccn1.
What is the InChIKey of 2-propyl-2-pyridin-2-ylpent-4-enamide?
The InChIKey is QCOCNTHCWCKXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-8-13(9-4-2,12(14)16)11-7-5-6-10-15-11/h3,5-7,10H,1,4,8-9H2,2H3,(H2,14,16).
What are the key properties of 2-propyl-2-pyridin-2-ylpent-4-enamide?
2-propyl-2-pyridin-2-ylpent-4-enamide has a molecular weight of 218.30 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-pyridin-2-ylpent-4-enamide is sourced from PubChem (CID 3054961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).