methyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate

C18H19FN2O4 — CID 99793479

IUPACmethyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate
SMILESCOC(=O)C[C@](C)(NC(=O)c1ccn(C)c(=O)c1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O4/c1-18(11-16(23)25-3,13-4-6-14(19)7-5-13)20-17(24)12-8-9-21(2)15(22)10-12/h4-10H,11H2,1-3H3,(H,20,24)/t18-/m0/s1
InChIKeyGVBOCQQEEAVYKC-SFHVURJKSA-N
MW346.36 g/mol
LogP1.73
Rot. Bonds5

About methyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate

methyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate (PubChem CID 99793479) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is methyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate
PubChem CID99793479
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Namemethyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate
SMILESCOC(=O)C[C@](C)(NC(=O)c1ccn(C)c(=O)c1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O4/c1-18(11-16(23)25-3,13-4-6-14(19)7-5-13)20-17(24)12-8-9-21(2)15(22)10-12/h4-10H,11H2,1-3H3,(H,20,24)/t18-/m0/s1
InChIKeyGVBOCQQEEAVYKC-SFHVURJKSA-N
XLogP1.73
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate?
The IUPAC name of methyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate (CID 99793479) is methyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate.
What is the SMILES notation for methyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate?
The canonical SMILES for methyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate is COC(=O)C[C@](C)(NC(=O)c1ccn(C)c(=O)c1)c1ccc(F)cc1.
What is the InChIKey of methyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate?
The InChIKey is GVBOCQQEEAVYKC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-18(11-16(23)25-3,13-4-6-14(19)7-5-13)20-17(24)12-8-9-21(2)15(22)10-12/h4-10H,11H2,1-3H3,(H,20,24)/t18-/m0/s1.
What are the key properties of methyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate?
methyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate has a molecular weight of 346.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate is sourced from PubChem (CID 99793479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).