[2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate

C15H13FN4O4 — CID 2531853

IUPAC[2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
SMILESNC(=O)NC(=O)COC(=O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C15H13FN4O4/c16-10-5-1-2-6-11(10)19-13-9(4-3-7-18-13)14(22)24-8-12(21)20-15(17)23/h1-7H,8H2,(H,18,19)(H3,17,20,21,23)
InChIKeyGFJAXVWEWHNGEF-UHFFFAOYSA-N
MW332.29 g/mol
LogP1.32
Rot. Bonds5

About [2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate

[2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate (PubChem CID 2531853) has the molecular formula C15H13FN4O4 and a molecular weight of 332.29 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
PubChem CID2531853
Molecular FormulaC15H13FN4O4
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
SMILESNC(=O)NC(=O)COC(=O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C15H13FN4O4/c16-10-5-1-2-6-11(10)19-13-9(4-3-7-18-13)14(22)24-8-12(21)20-15(17)23/h1-7H,8H2,(H,18,19)(H3,17,20,21,23)
InChIKeyGFJAXVWEWHNGEF-UHFFFAOYSA-N
XLogP1.32
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate (CID 2531853) is [2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate is NC(=O)NC(=O)COC(=O)c1cccnc1Nc1ccccc1F.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate?
The InChIKey is GFJAXVWEWHNGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O4/c16-10-5-1-2-6-11(10)19-13-9(4-3-7-18-13)14(22)24-8-12(21)20-15(17)23/h1-7H,8H2,(H,18,19)(H3,17,20,21,23).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate?
[2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate has a molecular weight of 332.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate is sourced from PubChem (CID 2531853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).