methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-4-methylpentanoate

C25H40N2O4 — CID 67519711

IUPACmethyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-4-methylpentanoate
SMILESCCCc1c(CC)cc(C(=O)NC(CC(C)C)C(=O)OC)c(=O)n1CC1CCCCC1
InChIInChI=1S/C25H40N2O4/c1-6-11-22-19(7-2)15-20(23(28)26-21(14-17(3)4)25(30)31-5)24(29)27(22)16-18-12-9-8-10-13-18/h15,17-18,21H,6-14,16H2,1-5H3,(H,26,28)
InChIKeyWVFVGHIDBKMPMJ-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.26
Rot. Bonds10

About methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-4-methylpentanoate

methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-4-methylpentanoate (PubChem CID 67519711) has the molecular formula C25H40N2O4 and a molecular weight of 432.61 g/mol. Its IUPAC name is methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-4-methylpentanoate
PubChem CID67519711
Molecular FormulaC25H40N2O4
Molecular Weight432.61 g/mol
Exact Mass432.30
IUPAC Namemethyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-4-methylpentanoate
SMILESCCCc1c(CC)cc(C(=O)NC(CC(C)C)C(=O)OC)c(=O)n1CC1CCCCC1
InChIInChI=1S/C25H40N2O4/c1-6-11-22-19(7-2)15-20(23(28)26-21(14-17(3)4)25(30)31-5)24(29)27(22)16-18-12-9-8-10-13-18/h15,17-18,21H,6-14,16H2,1-5H3,(H,26,28)
InChIKeyWVFVGHIDBKMPMJ-UHFFFAOYSA-N
XLogP4.26
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.26
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]-4-methylpentanoate?
The IUPAC name of methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-4-methylpentanoate (CID 67519711) is methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-4-methylpentanoate is CCCc1c(CC)cc(C(=O)NC(CC(C)C)C(=O)OC)c(=O)n1CC1CCCCC1.
What is the InChIKey of methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-4-methylpentanoate?
The InChIKey is WVFVGHIDBKMPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O4/c1-6-11-22-19(7-2)15-20(23(28)26-21(14-17(3)4)25(30)31-5)24(29)27(22)16-18-12-9-8-10-13-18/h15,17-18,21H,6-14,16H2,1-5H3,(H,26,28).
What are the key properties of methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-4-methylpentanoate?
methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-4-methylpentanoate has a molecular weight of 432.61 g/mol, XLogP of 4.26, 10 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]-4-methylpentanoate is sourced from PubChem (CID 67519711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).