3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide

C11H13N3O2 — CID 173273862

IUPAC3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide
SMILESCNC(=CC(=O)NCC=O)c1ccccn1
InChIInChI=1S/C11H13N3O2/c1-12-10(8-11(16)14-6-7-15)9-4-2-3-5-13-9/h2-5,7-8,12H,6H2,1H3,(H,14,16)
InChIKeySHYPSVQJAVASCV-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.04
Rot. Bonds5

About 3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide

3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide (PubChem CID 173273862) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide
PubChem CID173273862
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide
SMILESCNC(=CC(=O)NCC=O)c1ccccn1
InChIInChI=1S/C11H13N3O2/c1-12-10(8-11(16)14-6-7-15)9-4-2-3-5-13-9/h2-5,7-8,12H,6H2,1H3,(H,14,16)
InChIKeySHYPSVQJAVASCV-UHFFFAOYSA-N
XLogP-0.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide
CID 54036682
(2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal
CID 166478905
3-oxo-3-pyridin-2-ylpropanal
CID 22486385
(Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide
CID 173285530
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867
(Z,3Z)-3-(ethylaminomethylimino)-N-methyl-1-(methylideneamino)-2-pyridin-2-ylprop-1-en-1-amine
CID 145287800
N-(9-oxononyl)pyridine-2-carboxamide
CID 130335282
N-(2-cyanopropyl)pyridine-2-carboxamide
CID 62651477
4-(2-hydroxyanilino)-4-pyridin-2-ylbut-3-en-2-one
CID 139169728
N-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide
CID 173299705
4-methyl-1-pyridin-2-ylpentane-1,3-dione
CID 63319425

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of 3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide (CID 173273862) is 3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for 3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for 3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide is CNC(=CC(=O)NCC=O)c1ccccn1.
What is the InChIKey of 3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide?
The InChIKey is SHYPSVQJAVASCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-12-10(8-11(16)14-6-7-15)9-4-2-3-5-13-9/h2-5,7-8,12H,6H2,1H3,(H,14,16).
What are the key properties of 3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide?
3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide has a molecular weight of 219.24 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 173273862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).