(2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate

C14H12FN3O3 — CID 2544894

IUPAC(2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate
SMILESNC(=O)COC(=O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C14H12FN3O3/c15-10-5-1-2-6-11(10)18-13-9(4-3-7-17-13)14(20)21-8-12(16)19/h1-7H,8H2,(H2,16,19)(H,17,18)
InChIKeyPIEFCTLOKJZNSH-UHFFFAOYSA-N
MW289.27 g/mol
LogP1.61
Rot. Bonds5

About (2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate

(2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate (PubChem CID 2544894) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate
PubChem CID2544894
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name(2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate
SMILESNC(=O)COC(=O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C14H12FN3O3/c15-10-5-1-2-6-11(10)18-13-9(4-3-7-17-13)14(20)21-8-12(16)19/h1-7H,8H2,(H2,16,19)(H,17,18)
InChIKeyPIEFCTLOKJZNSH-UHFFFAOYSA-N
XLogP1.61
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Niflumic Acid
CID 4488
Morniflumate
CID 72106
Methyl 6-aminonicotinate
CID 737487
(Cycloheptylcarbamoyl)methyl 2-aminopyridine-3-carboxylate
CID 8147464
Methyl 2-aminopyridine-3-carboxylate
CID 351633
Nevirapin 2,4-Disubstituted deriv. 12b
CID 464563
Methyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
CID 1483244
6-(Phenylamino)nicotinic acid
CID 2771812
Ethyl 2-aminopyridine-3-carboxylate
CID 12433260
[2-(4-Methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 847689
[2-(Carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2531853
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2544910

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate (CID 2544894) is (2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate is NC(=O)COC(=O)c1cccnc1Nc1ccccc1F.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate?
The InChIKey is PIEFCTLOKJZNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-10-5-1-2-6-11(10)18-13-9(4-3-7-17-13)14(20)21-8-12(16)19/h1-7H,8H2,(H2,16,19)(H,17,18).
What are the key properties of (2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate?
(2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate has a molecular weight of 289.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate is sourced from PubChem (CID 2544894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).