5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid

C13H15N3O4 — CID 63153999

IUPAC5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCCN1CC(C(=O)Nc2cncc(C(=O)O)c2)CC1=O
InChIInChI=1S/C13H15N3O4/c1-2-16-7-9(4-11(16)17)12(18)15-10-3-8(13(19)20)5-14-6-10/h3,5-6,9H,2,4,7H2,1H3,(H,15,18)(H,19,20)
InChIKeyJOVCXJUEYHOTRA-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.59
Rot. Bonds4

About 5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid

5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 63153999) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID63153999
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCCN1CC(C(=O)Nc2cncc(C(=O)O)c2)CC1=O
InChIInChI=1S/C13H15N3O4/c1-2-16-7-9(4-11(16)17)12(18)15-10-3-8(13(19)20)5-14-6-10/h3,5-6,9H,2,4,7H2,1H3,(H,15,18)(H,19,20)
InChIKeyJOVCXJUEYHOTRA-UHFFFAOYSA-N
XLogP0.59
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 94092655
2-[4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 43358506
2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 79806546
(3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 38418637
(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 94183042
3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 50928066
1-ethyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 61393728
methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate
CID 95173124
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79793392
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 120566669
N-(3-acetamidophenyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113184138
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398255

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid (CID 63153999) is 5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid is CCN1CC(C(=O)Nc2cncc(C(=O)O)c2)CC1=O.
What is the InChIKey of 5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is JOVCXJUEYHOTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-2-16-7-9(4-11(16)17)12(18)15-10-3-8(13(19)20)5-14-6-10/h3,5-6,9H,2,4,7H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid?
5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63153999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).