2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid

C12H16N4O3 — CID 114195336

IUPAC2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(NCC(=O)N2CCCC2)cn1
InChIInChI=1S/C12H16N4O3/c13-10-5-8(12(18)19)9(6-15-10)14-7-11(17)16-3-1-2-4-16/h5-6,14H,1-4,7H2,(H2,13,15)(H,18,19)
InChIKeyTTZAWSWVLDYZID-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.40
Rot. Bonds4

About 2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid

2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid (PubChem CID 114195336) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid
PubChem CID114195336
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(NCC(=O)N2CCCC2)cn1
InChIInChI=1S/C12H16N4O3/c13-10-5-8(12(18)19)9(6-15-10)14-7-11(17)16-3-1-2-4-16/h5-6,14H,1-4,7H2,(H2,13,15)(H,18,19)
InChIKeyTTZAWSWVLDYZID-UHFFFAOYSA-N
XLogP0.40
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-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

2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid
CID 114195062
2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113406477
5-bromo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 113406289
2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 114195177
3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411675
2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid
CID 114194951
2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridine-4-carboxamide
CID 114195291
2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114195553
1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone
CID 55118306
2-[(5-aminoisoquinolin-8-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103139050
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid (CID 114195336) is 2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid is Nc1cc(C(=O)O)c(NCC(=O)N2CCCC2)cn1.
What is the InChIKey of 2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is TTZAWSWVLDYZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-10-5-8(12(18)19)9(6-15-10)14-7-11(17)16-3-1-2-4-16/h5-6,14H,1-4,7H2,(H2,13,15)(H,18,19).
What are the key properties of 2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid?
2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114195336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).