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

C22H27FN2O4 — CID 69472772

IUPACmethyl (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate
SMILESCCc1c(C)cc(C(=O)N[C@H](C(=O)OC)C(C)C)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O4/c1-6-18-14(4)11-17(20(26)24-19(13(2)3)22(28)29-5)21(27)25(18)12-15-7-9-16(23)10-8-15/h7-11,13,19H,6,12H2,1-5H3,(H,24,26)/t19-/m0/s1
InChIKeyJHBXNTFCTMWHDX-IBGZPJMESA-N
MW402.47 g/mol
LogP2.83
Rot. Bonds7

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

methyl (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate (PubChem CID 69472772) has the molecular formula C22H27FN2O4 and a molecular weight of 402.47 g/mol. Its IUPAC name is methyl (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate
PubChem CID69472772
Molecular FormulaC22H27FN2O4
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC Namemethyl (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate
SMILESCCc1c(C)cc(C(=O)N[C@H](C(=O)OC)C(C)C)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O4/c1-6-18-14(4)11-17(20(26)24-19(13(2)3)22(28)29-5)21(27)25(18)12-15-7-9-16(23)10-8-15/h7-11,13,19H,6,12H2,1-5H3,(H,24,26)/t19-/m0/s1
InChIKeyJHBXNTFCTMWHDX-IBGZPJMESA-N
XLogP2.83
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate with MolForge

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Related Compounds

methyl (2S)-3-methyl-2-[[1-[(4-methylphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]butanoate
CID 69475366
1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate
CID 67520455
(2S)-2-[[5,6-dimethyl-2-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carbonyl]amino]-3-methylbutanoic acid
CID 69475030
methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-3-methylbutanoate
CID 67520066
methyl (2R)-2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-3-methylbutanoate
CID 69474412
methyl 2-[(4-chloro-2-fluorobenzoyl)amino]-3-methylbutanoate
CID 43408111
methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate
CID 124596647
ethyl (2S)-2-[[1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3-methylbutanoate
CID 125181443
methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate
CID 113415269
methyl 2-[(2-hydroxybenzoyl)amino]-3-methylbutanoate
CID 43386280
methyl 2-[(3,5-difluorobenzoyl)amino]-3-methylbutanoate
CID 43406016
methyl 2-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51052868

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate?
The IUPAC name of methyl (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate (CID 69472772) is methyl (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate is CCc1c(C)cc(C(=O)N[C@H](C(=O)OC)C(C)C)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of methyl (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate?
The InChIKey is JHBXNTFCTMWHDX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27FN2O4/c1-6-18-14(4)11-17(20(26)24-19(13(2)3)22(28)29-5)21(27)25(18)12-15-7-9-16(23)10-8-15/h7-11,13,19H,6,12H2,1-5H3,(H,24,26)/t19-/m0/s1.
What are the key properties of methyl (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate?
methyl (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate has a molecular weight of 402.47 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate is sourced from PubChem (CID 69472772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).