2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate

C19H21FN2O4 — CID 86865801

IUPAC2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)OCCn1ccccc1=O
InChIInChI=1S/C19H21FN2O4/c1-13(2)17(21-18(24)14-6-8-15(20)9-7-14)19(25)26-12-11-22-10-4-3-5-16(22)23/h3-10,13,17H,11-12H2,1-2H3,(H,21,24)
InChIKeyYVVFXBFDGSFVQK-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.99
Rot. Bonds7

About 2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate

2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate (PubChem CID 86865801) has the molecular formula C19H21FN2O4 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
PubChem CID86865801
Molecular FormulaC19H21FN2O4
Molecular Weight360.38 g/mol
Exact Mass360.15
IUPAC Name2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)OCCn1ccccc1=O
InChIInChI=1S/C19H21FN2O4/c1-13(2)17(21-18(24)14-6-8-15(20)9-7-14)19(25)26-12-11-22-10-4-3-5-16(22)23/h3-10,13,17H,11-12H2,1-2H3,(H,21,24)
InChIKeyYVVFXBFDGSFVQK-UHFFFAOYSA-N
XLogP1.99
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 94332991
(4-acetylphenyl) (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 9138527
[2-(tert-butylamino)-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 9491978
(4-fluorophenyl)methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 7564642
(2-oxo-2-piperidin-1-ylethyl) (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 7442541
2-(2-fluorophenoxy)ethyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 40751117
(2-chloro-4-fluorophenyl)methyl (2S)-2-benzamido-3-methylbutanoate
CID 55925684
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 2378773
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 9492002
[2-(2-acetylanilino)-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 9491985
[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 9491965
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 7958973

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate?
The IUPAC name of 2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate (CID 86865801) is 2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate is CC(C)C(NC(=O)c1ccc(F)cc1)C(=O)OCCn1ccccc1=O.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate?
The InChIKey is YVVFXBFDGSFVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-13(2)17(21-18(24)14-6-8-15(20)9-7-14)19(25)26-12-11-22-10-4-3-5-16(22)23/h3-10,13,17H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate?
2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate has a molecular weight of 360.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 86865801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).