4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid

C13H18N2O4 — CID 114038919

IUPAC4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid
SMILESCCC(CC)NC(=O)Cn1ccc(=O)c(C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-3-9(4-2)14-12(17)8-15-6-5-11(16)10(7-15)13(18)19/h5-7,9H,3-4,8H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyJGJRPGDDDUNIJU-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.85
Rot. Bonds6

About 4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid

4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid (PubChem CID 114038919) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid
PubChem CID114038919
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid
SMILESCCC(CC)NC(=O)Cn1ccc(=O)c(C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-3-9(4-2)14-12(17)8-15-6-5-11(16)10(7-15)13(18)19/h5-7,9H,3-4,8H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyJGJRPGDDDUNIJU-UHFFFAOYSA-N
XLogP0.85
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrole-3-carboxylic acid
CID 79103265
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
CID 47101929
2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide
CID 82992568
2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide
CID 66404406
2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide
CID 116624308
2-(3-amino-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
CID 62102777
2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 79104950
2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66408404
2-methyl-3-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoic acid
CID 82826951
2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide
CID 18082973
N-pentan-3-yl-2-(2-phenylethylamino)acetamide
CID 60671321
4-oxo-1-[(3-propylimidazol-4-yl)methyl]pyridine-3-carboxylic acid
CID 114038925

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid (CID 114038919) is 4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid is CCC(CC)NC(=O)Cn1ccc(=O)c(C(=O)O)c1.
What is the InChIKey of 4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid?
The InChIKey is JGJRPGDDDUNIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-9(4-2)14-12(17)8-15-6-5-11(16)10(7-15)13(18)19/h5-7,9H,3-4,8H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid?
4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114038919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).