[2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid

C9H11N3O3 — CID 174507293

IUPAC[2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid
SMILESCN(C(=O)CNC(=O)O)c1cccnc1
InChIInChI=1S/C9H11N3O3/c1-12(7-3-2-4-10-5-7)8(13)6-11-9(14)15/h2-5,11H,6H2,1H3,(H,14,15)
InChIKeyXAWKRCQMBNFODM-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.31
Rot. Bonds3

About [2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid

[2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid (PubChem CID 174507293) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is [2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid
PubChem CID174507293
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name[2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid
SMILESCN(C(=O)CNC(=O)O)c1cccnc1
InChIInChI=1S/C9H11N3O3/c1-12(7-3-2-4-10-5-7)8(13)6-11-9(14)15/h2-5,11H,6H2,1H3,(H,14,15)
InChIKeyXAWKRCQMBNFODM-UHFFFAOYSA-N
XLogP0.31
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid 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-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
2-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]butanoic acid
CID 65226726
N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
methyl N-[2-(N-methylanilino)-2-oxoethyl]carbamate
CID 112996292
2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid
CID 79464321
5-amino-N-methyl-N-pyridin-3-ylhexanamide
CID 82852147
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
3,3-dimethyl-4-[methyl(pyridin-3-yl)amino]-4-oxobutanoic acid
CID 115164800
4-acetamido-N-methyl-N-pyridin-3-ylbenzamide
CID 59607027
1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436939
N-[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]imidazole-1-carboxamide
CID 14996932
2-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381341

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid?
The IUPAC name of [2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid (CID 174507293) is [2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid is CN(C(=O)CNC(=O)O)c1cccnc1.
What is the InChIKey of [2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid?
The InChIKey is XAWKRCQMBNFODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-12(7-3-2-4-10-5-7)8(13)6-11-9(14)15/h2-5,11H,6H2,1H3,(H,14,15).
What are the key properties of [2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid?
[2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid has a molecular weight of 209.21 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 174507293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).