2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid

C13H10FN3O3 — CID 118961550

IUPAC2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1ccncc1Nc1ccc(F)cc1
InChIInChI=1S/C13H10FN3O3/c14-8-1-3-9(4-2-8)16-11-7-15-6-5-10(11)17-12(18)13(19)20/h1-7,16H,(H,19,20)(H,15,17,18)
InChIKeyDKXUKPGKBOETJR-UHFFFAOYSA-N
MW275.24 g/mol
LogP1.99
Rot. Bonds3

About 2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid

2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid (PubChem CID 118961550) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid
PubChem CID118961550
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1ccncc1Nc1ccc(F)cc1
InChIInChI=1S/C13H10FN3O3/c14-8-1-3-9(4-2-8)16-11-7-15-6-5-10(11)17-12(18)13(19)20/h1-7,16H,(H,19,20)(H,15,17,18)
InChIKeyDKXUKPGKBOETJR-UHFFFAOYSA-N
XLogP1.99
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic 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

N'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide
CID 86963890
4-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 81236169
2-(oxaloamino)-4-(pyridin-3-ylamino)benzoic acid
CID 70244357
N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
CID 105062559
4-(4-tert-butylanilino)pyridine-3-carboxylic acid
CID 81232443
N'-(4-fluorophenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11439538
N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 55148535
4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81233465
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
2,2-difluoro-N-(3-fluoro-4-pyridinyl)acetamide
CID 107595585

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid (CID 118961550) is 2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid is O=C(O)C(=O)Nc1ccncc1Nc1ccc(F)cc1.
What is the InChIKey of 2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid?
The InChIKey is DKXUKPGKBOETJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-8-1-3-9(4-2-8)16-11-7-15-6-5-10(11)17-12(18)13(19)20/h1-7,16H,(H,19,20)(H,15,17,18).
What are the key properties of 2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid?
2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid has a molecular weight of 275.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 118961550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).