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

C12H14N2O4 — CID 54957143

IUPAC1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
SMILESCN(C(=O)Cn1cc(C(=O)O)ccc1=O)C1CC1
InChIInChI=1S/C12H14N2O4/c1-13(9-3-4-9)11(16)7-14-6-8(12(17)18)2-5-10(14)15/h2,5-6,9H,3-4,7H2,1H3,(H,17,18)
InChIKeyMGKKHMMOFMPYMI-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.17
Rot. Bonds4

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

1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 54957143) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID54957143
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
SMILESCN(C(=O)Cn1cc(C(=O)O)ccc1=O)C1CC1
InChIInChI=1S/C12H14N2O4/c1-13(9-3-4-9)11(16)7-14-6-8(12(17)18)2-5-10(14)15/h2,5-6,9H,3-4,7H2,1H3,(H,17,18)
InChIKeyMGKKHMMOFMPYMI-UHFFFAOYSA-N
XLogP0.17
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid (CID 54957143) is 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid is CN(C(=O)Cn1cc(C(=O)O)ccc1=O)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is MGKKHMMOFMPYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-13(9-3-4-9)11(16)7-14-6-8(12(17)18)2-5-10(14)15/h2,5-6,9H,3-4,7H2,1H3,(H,17,18).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 54957143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).