methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate

C24H29N3O5 — CID 26359512

IUPACmethyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate
SMILESCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)c1=O
InChIInChI=1S/C24H29N3O5/c1-25-22(29)18-14-27(17-11-7-4-8-12-17)15-19(21(18)28)23(30)26-20(24(31)32-2)13-16-9-5-3-6-10-16/h3,5-6,9-10,14-15,17,20H,4,7-8,11-13H2,1-2H3,(H,25,29)(H,26,30)/t20-/m0/s1
InChIKeyJQDAVYMCDABWKJ-FQEVSTJZSA-N
MW439.51 g/mol
LogP2.23
Rot. Bonds7

About methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate

methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate (PubChem CID 26359512) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate
PubChem CID26359512
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Namemethyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate
SMILESCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)c1=O
InChIInChI=1S/C24H29N3O5/c1-25-22(29)18-14-27(17-11-7-4-8-12-17)15-19(21(18)28)23(30)26-20(24(31)32-2)13-16-9-5-3-6-10-16/h3,5-6,9-10,14-15,17,20H,4,7-8,11-13H2,1-2H3,(H,25,29)(H,26,30)/t20-/m0/s1
InChIKeyJQDAVYMCDABWKJ-FQEVSTJZSA-N
XLogP2.23
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 45195813
5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide
CID 26363741
methyl (2S)-2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]-3-phenylpropanoate
CID 38032325
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
methyl (2S)-2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-phenylpropanoate
CID 69472036
[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017205
methyl (2R)-2-[[(3S)-5-(cyclohexylamino)-3-methyl-5-oxopentanoyl]amino]-3-phenylpropanoate
CID 7326241
methyl (2R)-2-[[(3R)-5-(cyclododecylamino)-3-methyl-5-oxopentanoyl]amino]-3-phenylpropanoate
CID 41263636
1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 45231742
methyl (2S)-3-[4-(cyclohexylmethoxy)phenyl]-2-[[2-(2-phenylethyl)benzoyl]amino]propanoate
CID 70123177
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 139079472
1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide
CID 26356143

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate (CID 26359512) is methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate is CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)c1=O.
What is the InChIKey of methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate?
The InChIKey is JQDAVYMCDABWKJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-25-22(29)18-14-27(17-11-7-4-8-12-17)15-19(21(18)28)23(30)26-20(24(31)32-2)13-16-9-5-3-6-10-16/h3,5-6,9-10,14-15,17,20H,4,7-8,11-13H2,1-2H3,(H,25,29)(H,26,30)/t20-/m0/s1.
What are the key properties of methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate?
methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate has a molecular weight of 439.51 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 26359512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).