3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide

C9H12N2O — CID 91578745

IUPAC3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide
SMILESCNC(=O)C=CC1=CCC=NC1
InChIInChI=1S/C9H12N2O/c1-10-9(12)5-4-8-3-2-6-11-7-8/h3-6H,2,7H2,1H3,(H,10,12)
InChIKeyZMIRZOPSCFSFFV-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.69
Rot. Bonds2

About 3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide

3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide (PubChem CID 91578745) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide
PubChem CID91578745
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide
SMILESCNC(=O)C=CC1=CCC=NC1
InChIInChI=1S/C9H12N2O/c1-10-9(12)5-4-8-3-2-6-11-7-8/h3-6H,2,7H2,1H3,(H,10,12)
InChIKeyZMIRZOPSCFSFFV-UHFFFAOYSA-N
XLogP0.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.69
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-methyl-6-oxo-3H-pyridine-3-carboxamide
CID 78169459
2-(4-iminocyclohexa-2,5-dien-1-ylidene)-N-methylacetamide
CID 134963485
N-methyl-2,3-dihydropyridine-5-carboxamide
CID 53843387
(E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide
CID 70232698
3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide
CID 90845381
(Z,2E)-2-ethylidene-5-methyliminopent-3-enamide
CID 118070568
N,3-dimethyl-2,3-dihydropyridine-5-carboxamide
CID 123307049
(2E,4Z)-N,4-dimethyl-2-(methyliminomethyl)hexa-2,4-dienamide
CID 132076820
5-methanimidoyl-1H-pyridin-2-one
CID 136506812
N-methyl-2H-azepine-5-carboxamide
CID 142206390
5-(aminomethyl)-1H-pyridin-2-one;ethane
CID 144769744
(2E,4E)-N-methyl-4-[(methylideneamino)methylidene]hexa-2,5-dienamide
CID 145100146

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide?
The IUPAC name of 3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide (CID 91578745) is 3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide.
What is the SMILES notation for 3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide?
The canonical SMILES for 3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide is CNC(=O)C=CC1=CCC=NC1.
What is the InChIKey of 3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide?
The InChIKey is ZMIRZOPSCFSFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-10-9(12)5-4-8-3-2-6-11-7-8/h3-6H,2,7H2,1H3,(H,10,12).
What are the key properties of 3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide?
3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide has a molecular weight of 164.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 91578745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).