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

C16H16FN3O3 — CID 2099205

IUPAC[2-(dimethylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
SMILESCN(C)C(=O)COC(=O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C16H16FN3O3/c1-20(2)14(21)10-23-16(22)11-6-5-9-18-15(11)19-13-8-4-3-7-12(13)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeySMVBPYTVXKOVDR-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.21
Rot. Bonds5

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

[2-(dimethylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate (PubChem CID 2099205) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
PubChem CID2099205
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
SMILESCN(C)C(=O)COC(=O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C16H16FN3O3/c1-20(2)14(21)10-23-16(22)11-6-5-9-18-15(11)19-13-8-4-3-7-12(13)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeySMVBPYTVXKOVDR-UHFFFAOYSA-N
XLogP2.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate (CID 2099205) is [2-(dimethylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate is CN(C)C(=O)COC(=O)c1cccnc1Nc1ccccc1F.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate?
The InChIKey is SMVBPYTVXKOVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-20(2)14(21)10-23-16(22)11-6-5-9-18-15(11)19-13-8-4-3-7-12(13)17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate?
[2-(dimethylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate has a molecular weight of 317.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate is sourced from PubChem (CID 2099205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).