N-methyl-3-pyridin-3-ylprop-2-enamide

C9H10N2O — CID 73116356

IUPACN-methyl-3-pyridin-3-ylprop-2-enamide
SMILESCNC(=O)C=Cc1cccnc1
InChIInChI=1S/C9H10N2O/c1-10-9(12)5-4-8-3-2-6-11-7-8/h2-7H,1H3,(H,10,12)
InChIKeyCXOAPSYOCCQYOH-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.84
Rot. Bonds2

About N-methyl-3-pyridin-3-ylprop-2-enamide

N-methyl-3-pyridin-3-ylprop-2-enamide (PubChem CID 73116356) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N-methyl-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-methyl-3-pyridin-3-ylprop-2-enamide
PubChem CID73116356
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN-methyl-3-pyridin-3-ylprop-2-enamide
SMILESCNC(=O)C=Cc1cccnc1
InChIInChI=1S/C9H10N2O/c1-10-9(12)5-4-8-3-2-6-11-7-8/h2-7H,1H3,(H,10,12)
InChIKeyCXOAPSYOCCQYOH-UHFFFAOYSA-N
XLogP0.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.84
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

molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 168909780
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 38160719
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203
ethane;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465034
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide
CID 113343229
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
methanethiol;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465005
(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148246
(E)-N-[(2R)-1-hydroxybutan-2-yl]-3-pyridin-3-ylprop-2-enamide
CID 103919982
sodium (E)-3-pyridin-3-ylprop-2-enoate
CID 23685130
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 103843405

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-methyl-3-pyridin-3-ylprop-2-enamide (CID 73116356) is N-methyl-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-methyl-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-methyl-3-pyridin-3-ylprop-2-enamide is CNC(=O)C=Cc1cccnc1.
What is the InChIKey of N-methyl-3-pyridin-3-ylprop-2-enamide?
The InChIKey is CXOAPSYOCCQYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-10-9(12)5-4-8-3-2-6-11-7-8/h2-7H,1H3,(H,10,12).
What are the key properties of N-methyl-3-pyridin-3-ylprop-2-enamide?
N-methyl-3-pyridin-3-ylprop-2-enamide has a molecular weight of 162.19 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 73116356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).