1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane

C15H23N3O2 — CID 144688664

IUPAC1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane
SMILESC=C(C)N(CC(=O)c1cccnc1)C(=O)N(C)C.CC
InChIInChI=1S/C13H17N3O2.C2H6/c1-10(2)16(13(18)15(3)4)9-12(17)11-6-5-7-14-8-11;1-2/h5-8H,1,9H2,2-4H3;1-2H3
InChIKeyMWVHZBRLIJNPBK-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.81
Rot. Bonds4

About 1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane

1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane (PubChem CID 144688664) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane.

Molecular Properties

Compound Name1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane
PubChem CID144688664
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane
SMILESC=C(C)N(CC(=O)c1cccnc1)C(=O)N(C)C.CC
InChIInChI=1S/C13H17N3O2.C2H6/c1-10(2)16(13(18)15(3)4)9-12(17)11-6-5-7-14-8-11;1-2/h5-8H,1,9H2,2-4H3;1-2H3
InChIKeyMWVHZBRLIJNPBK-UHFFFAOYSA-N
XLogP2.81
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
methyl-N-(2-oxo-2-pyridin-3-ylethyl)-N-prop-2-enylboronamidic acid
CID 123204278
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608
2-pyridin-3-ylpent-1-en-3-one
CID 155931297
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one
CID 134334847
1-pyridin-3-ylpentan-1-one
CID 12648543
N,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine
CID 143076346
2-(pyridine-3-carbonyl)prop-2-enyl N,N-dimethylcarbamodithioate
CID 138373803
2-oxopropyl pyridine-3-carboxylate
CID 69192363
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane?
The IUPAC name of 1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane (CID 144688664) is 1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane.
What is the SMILES notation for 1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane?
The canonical SMILES for 1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane is C=C(C)N(CC(=O)c1cccnc1)C(=O)N(C)C.CC.
What is the InChIKey of 1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane?
The InChIKey is MWVHZBRLIJNPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.C2H6/c1-10(2)16(13(18)15(3)4)9-12(17)11-6-5-7-14-8-11;1-2/h5-8H,1,9H2,2-4H3;1-2H3.
What are the key properties of 1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane?
1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane has a molecular weight of 277.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane is sourced from PubChem (CID 144688664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).