methyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate

C22H34N2O4 — CID 67519839

IUPACmethyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)c1cc(C)c(C)n(CC2CCCCC2)c1=O)C(=O)OC
InChIInChI=1S/C22H34N2O4/c1-6-14(2)19(22(27)28-5)23-20(25)18-12-15(3)16(4)24(21(18)26)13-17-10-8-7-9-11-17/h12,14,17,19H,6-11,13H2,1-5H3,(H,23,25)
InChIKeyLBWYSRRXZGHPII-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.36
Rot. Bonds7

About methyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate

methyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate (PubChem CID 67519839) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is methyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate
PubChem CID67519839
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Namemethyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)c1cc(C)c(C)n(CC2CCCCC2)c1=O)C(=O)OC
InChIInChI=1S/C22H34N2O4/c1-6-14(2)19(22(27)28-5)23-20(25)18-12-15(3)16(4)24(21(18)26)13-17-10-8-7-9-11-17/h12,14,17,19H,6-11,13H2,1-5H3,(H,23,25)
InChIKeyLBWYSRRXZGHPII-UHFFFAOYSA-N
XLogP3.36
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate (CID 67519839) is methyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate is CCC(C)C(NC(=O)c1cc(C)c(C)n(CC2CCCCC2)c1=O)C(=O)OC.
What is the InChIKey of methyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate?
The InChIKey is LBWYSRRXZGHPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-6-14(2)19(22(27)28-5)23-20(25)18-12-15(3)16(4)24(21(18)26)13-17-10-8-7-9-11-17/h12,14,17,19H,6-11,13H2,1-5H3,(H,23,25).
What are the key properties of methyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate?
methyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate has a molecular weight of 390.52 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate is sourced from PubChem (CID 67519839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).