1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid

C12H14N2O4 — CID 62874027

IUPAC1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC(=O)NC1CC1
InChIInChI=1S/C12H14N2O4/c1-7-2-5-9(12(17)18)11(16)14(7)6-10(15)13-8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H,13,15)(H,17,18)
InChIKeyXXENKYVIPRHPCX-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.13
Rot. Bonds4

About 1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid

1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 62874027) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID62874027
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC(=O)NC1CC1
InChIInChI=1S/C12H14N2O4/c1-7-2-5-9(12(17)18)11(16)14(7)6-10(15)13-8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H,13,15)(H,17,18)
InChIKeyXXENKYVIPRHPCX-UHFFFAOYSA-N
XLogP0.13
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic 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

6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 63098014
6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 62875870
1-[2-(cyanomethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 55126324
2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-cycloheptylacetamide
CID 87050345
6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid
CID 62876183
3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115932955
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid
CID 65172485
N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide
CID 26435326
1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 114224211
6-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxylic acid
CID 55125700
1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid
CID 55098640

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid (CID 62874027) is 1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1CC(=O)NC1CC1.
What is the InChIKey of 1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is XXENKYVIPRHPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7-2-5-9(12(17)18)11(16)14(7)6-10(15)13-8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 62874027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).