methyl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate

C21H32N2O4 — CID 67519754

IUPACmethyl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate
SMILESCCc1c(C)cc(C(=O)NC(C)(C)C(=O)OC)c(=O)n1CC1CCCCC1
InChIInChI=1S/C21H32N2O4/c1-6-17-14(2)12-16(18(24)22-21(3,4)20(26)27-5)19(25)23(17)13-15-10-8-7-9-11-15/h12,15H,6-11,13H2,1-5H3,(H,22,24)
InChIKeyBFJARAKSFOANCS-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.98
Rot. Bonds6

About methyl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate

methyl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate (PubChem CID 67519754) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is methyl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate
PubChem CID67519754
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Namemethyl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate
SMILESCCc1c(C)cc(C(=O)NC(C)(C)C(=O)OC)c(=O)n1CC1CCCCC1
InChIInChI=1S/C21H32N2O4/c1-6-17-14(2)12-16(18(24)22-21(3,4)20(26)27-5)19(25)23(17)13-15-10-8-7-9-11-15/h12,15H,6-11,13H2,1-5H3,(H,22,24)
InChIKeyBFJARAKSFOANCS-UHFFFAOYSA-N
XLogP2.98
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.98
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)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate (CID 67519754) is methyl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate is CCc1c(C)cc(C(=O)NC(C)(C)C(=O)OC)c(=O)n1CC1CCCCC1.
What is the InChIKey of methyl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate?
The InChIKey is BFJARAKSFOANCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-6-17-14(2)12-16(18(24)22-21(3,4)20(26)27-5)19(25)23(17)13-15-10-8-7-9-11-15/h12,15H,6-11,13H2,1-5H3,(H,22,24).
What are the key properties of methyl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate?
methyl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate has a molecular weight of 376.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 67519754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).