methyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate

C11H14FN3O3 — CID 144915274

IUPACmethyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate
SMILESCCc1ncc(F)cc1NC(=O)CNC(=O)OC
InChIInChI=1S/C11H14FN3O3/c1-3-8-9(4-7(12)5-13-8)15-10(16)6-14-11(17)18-2/h4-5H,3,6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyAKCABEFGBPKYTA-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.08
Rot. Bonds4

About methyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate

methyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate (PubChem CID 144915274) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is methyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate
PubChem CID144915274
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Namemethyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate
SMILESCCc1ncc(F)cc1NC(=O)CNC(=O)OC
InChIInChI=1S/C11H14FN3O3/c1-3-8-9(4-7(12)5-13-8)15-10(16)6-14-11(17)18-2/h4-5H,3,6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyAKCABEFGBPKYTA-UHFFFAOYSA-N
XLogP1.08
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142743369
methyl N-(2-chloro-5-fluoro-3-pyridinyl)carbamate
CID 86694123
tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
CID 47451260
methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
CID 112996068
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
methyl N-[2-(2-cyanoanilino)-2-oxoethyl]carbamate
CID 113001850
methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 47300199
tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate
CID 165341337
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-fluorobenzoate
CID 60850158
methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299980
methyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate
CID 134168238
4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide
CID 55950031

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate (CID 144915274) is methyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate is CCc1ncc(F)cc1NC(=O)CNC(=O)OC.
What is the InChIKey of methyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate?
The InChIKey is AKCABEFGBPKYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-3-8-9(4-7(12)5-13-8)15-10(16)6-14-11(17)18-2/h4-5H,3,6H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of methyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate?
methyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate has a molecular weight of 255.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2-ethyl-5-fluoro-3-pyridinyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 144915274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).