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

C11H12N2O4 — CID 28543008

IUPAC1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)ccc1=O)NC1CC1
InChIInChI=1S/C11H12N2O4/c14-9(12-8-2-3-8)6-13-5-7(11(16)17)1-4-10(13)15/h1,4-5,8H,2-3,6H2,(H,12,14)(H,16,17)
InChIKeyBHDMGHGQNLNYQP-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.17
Rot. Bonds4

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

1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 28543008) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID28543008
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)ccc1=O)NC1CC1
InChIInChI=1S/C11H12N2O4/c14-9(12-8-2-3-8)6-13-5-7(11(16)17)1-4-10(13)15/h1,4-5,8H,2-3,6H2,(H,12,14)(H,16,17)
InChIKeyBHDMGHGQNLNYQP-UHFFFAOYSA-N
XLogP-0.17
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(cyclopropylamino)-2-oxoethyl]-6-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

1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 21885909
6-Oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid
CID 61492529
3-[[(2S)-2-aminopropanoyl]amino]cyclohexa-1,5-diene-1-carboxylic acid
CID 22809971
1-Dimethylcarbamoylmethyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid
CID 28280497
2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid
CID 66631637
1-Methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 66844870
2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid
CID 70115917
3-Alanylamino-1,5-cyclohexadiene carboxylic acid hydrochloride
CID 70585581
2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-2-methyl-1H-pyridine-4-carboxylic acid
CID 126736529
2-(dipropylcarbamoyl)-6-oxo-1H-pyridine-4-carboxylic acid
CID 129054408
5-Amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid
CID 130268268
1-(Azetidin-3-yl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 138689891

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid (CID 28543008) is 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid is O=C(Cn1cc(C(=O)O)ccc1=O)NC1CC1.
What is the InChIKey of 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is BHDMGHGQNLNYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-9(12-8-2-3-8)6-13-5-7(11(16)17)1-4-10(13)15/h1,4-5,8H,2-3,6H2,(H,12,14)(H,16,17).
What are the key properties of 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of -0.17, 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-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 28543008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).