methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate

C24H38N2O4 — CID 67519704

IUPACmethyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate
SMILESCCCc1c(CC)cc(C(=O)NC(C(=O)OC)C(C)C)c(=O)n1CC1CCCCC1
InChIInChI=1S/C24H38N2O4/c1-6-11-20-18(7-2)14-19(22(27)25-21(16(3)4)24(29)30-5)23(28)26(20)15-17-12-9-8-10-13-17/h14,16-17,21H,6-13,15H2,1-5H3,(H,25,27)
InChIKeyJBNUIQUVYBAOKJ-UHFFFAOYSA-N
MW418.58 g/mol
LogP3.87
Rot. Bonds9

About methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate

methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate (PubChem CID 67519704) has the molecular formula C24H38N2O4 and a molecular weight of 418.58 g/mol. Its IUPAC name is methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate
PubChem CID67519704
Molecular FormulaC24H38N2O4
Molecular Weight418.58 g/mol
Exact Mass418.28
IUPAC Namemethyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate
SMILESCCCc1c(CC)cc(C(=O)NC(C(=O)OC)C(C)C)c(=O)n1CC1CCCCC1
InChIInChI=1S/C24H38N2O4/c1-6-11-20-18(7-2)14-19(22(27)25-21(16(3)4)24(29)30-5)23(28)26(20)15-17-12-9-8-10-13-17/h14,16-17,21H,6-13,15H2,1-5H3,(H,25,27)
InChIKeyJBNUIQUVYBAOKJ-UHFFFAOYSA-N
XLogP3.87
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 53.87
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-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate (CID 67519704) is methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate is CCCc1c(CC)cc(C(=O)NC(C(=O)OC)C(C)C)c(=O)n1CC1CCCCC1.
What is the InChIKey of methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate?
The InChIKey is JBNUIQUVYBAOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O4/c1-6-11-20-18(7-2)14-19(22(27)25-21(16(3)4)24(29)30-5)23(28)26(20)15-17-12-9-8-10-13-17/h14,16-17,21H,6-13,15H2,1-5H3,(H,25,27).
What are the key properties of methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate?
methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate has a molecular weight of 418.58 g/mol, XLogP of 3.87, 9 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-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate is sourced from PubChem (CID 67519704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).