(2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid

C24H23FN2O4 — CID 69472304

IUPAC(2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid
SMILESCCc1c(C)cc(C(=O)N[C@H](C(=O)O)c2ccccc2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C24H23FN2O4/c1-3-20-15(2)13-19(23(29)27(20)14-16-9-11-18(25)12-10-16)22(28)26-21(24(30)31)17-7-5-4-6-8-17/h4-13,21H,3,14H2,1-2H3,(H,26,28)(H,30,31)/t21-/m0/s1
InChIKeyWYLSJIDULBJPFQ-NRFANRHFSA-N
MW422.46 g/mol
LogP3.46
Rot. Bonds7

About (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid

(2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid (PubChem CID 69472304) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid
PubChem CID69472304
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name(2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid
SMILESCCc1c(C)cc(C(=O)N[C@H](C(=O)O)c2ccccc2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C24H23FN2O4/c1-3-20-15(2)13-19(23(29)27(20)14-16-9-11-18(25)12-10-16)22(28)26-21(24(30)31)17-7-5-4-6-8-17/h4-13,21H,3,14H2,1-2H3,(H,26,28)(H,30,31)/t21-/m0/s1
InChIKeyWYLSJIDULBJPFQ-NRFANRHFSA-N
XLogP3.46
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid (CID 69472304) is (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid is CCc1c(C)cc(C(=O)N[C@H](C(=O)O)c2ccccc2)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is WYLSJIDULBJPFQ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-3-20-15(2)13-19(23(29)27(20)14-16-9-11-18(25)12-10-16)22(28)26-21(24(30)31)17-7-5-4-6-8-17/h4-13,21H,3,14H2,1-2H3,(H,26,28)(H,30,31)/t21-/m0/s1.
What are the key properties of (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid?
(2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 422.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 69472304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).