3-cyclopropyl-N-pyridin-3-ylbut-2-enamide

C12H14N2O — CID 47303477

IUPAC3-cyclopropyl-N-pyridin-3-ylbut-2-enamide
SMILESCC(=CC(=O)Nc1cccnc1)C1CC1
InChIInChI=1S/C12H14N2O/c1-9(10-4-5-10)7-12(15)14-11-3-2-6-13-8-11/h2-3,6-8,10H,4-5H2,1H3,(H,14,15)
InChIKeyUJMSPNJXNQVLKO-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.38
Rot. Bonds3

About 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide

3-cyclopropyl-N-pyridin-3-ylbut-2-enamide (PubChem CID 47303477) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide.

Molecular Properties

Compound Name3-cyclopropyl-N-pyridin-3-ylbut-2-enamide
PubChem CID47303477
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-cyclopropyl-N-pyridin-3-ylbut-2-enamide
SMILESCC(=CC(=O)Nc1cccnc1)C1CC1
InChIInChI=1S/C12H14N2O/c1-9(10-4-5-10)7-12(15)14-11-3-2-6-13-8-11/h2-3,6-8,10H,4-5H2,1H3,(H,14,15)
InChIKeyUJMSPNJXNQVLKO-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.38
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

4-hydroxy-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 112524091
(2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide
CID 99633361
N-(3-methylbut-2-en-2-yl)pyridin-3-amine
CID 58929048
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
cyclopropyl acetate;N-phenylacetamide;N-pyridin-3-ylacetamide
CID 165016766
N-pyridin-3-ylcyclopentanecarbothioamide
CID 88634071
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6950908
3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 5211022
(5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one
CID 143955611
methyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate
CID 19890803

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide?
The IUPAC name of 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide (CID 47303477) is 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide.
What is the SMILES notation for 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide?
The canonical SMILES for 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide is CC(=CC(=O)Nc1cccnc1)C1CC1.
What is the InChIKey of 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide?
The InChIKey is UJMSPNJXNQVLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(10-4-5-10)7-12(15)14-11-3-2-6-13-8-11/h2-3,6-8,10H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide?
3-cyclopropyl-N-pyridin-3-ylbut-2-enamide has a molecular weight of 202.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide is sourced from PubChem (CID 47303477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).