methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate

C22H36N2O4 — CID 67519668

IUPACmethyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate
SMILESCCCCc1c(CCC)cc(C(=O)NC(C)(C)C(=O)OC)c(=O)n1CCCC
InChIInChI=1S/C22H36N2O4/c1-7-10-13-18-16(12-9-3)15-17(20(26)24(18)14-11-8-2)19(25)23-22(4,5)21(27)28-6/h15H,7-14H2,1-6H3,(H,23,25)
InChIKeyWHZBCNUGZLHDPR-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.62
Rot. Bonds11

About methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate

methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate (PubChem CID 67519668) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate
PubChem CID67519668
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC Namemethyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate
SMILESCCCCc1c(CCC)cc(C(=O)NC(C)(C)C(=O)OC)c(=O)n1CCCC
InChIInChI=1S/C22H36N2O4/c1-7-10-13-18-16(12-9-3)15-17(20(26)24(18)14-11-8-2)19(25)23-22(4,5)21(27)28-6/h15H,7-14H2,1-6H3,(H,23,25)
InChIKeyWHZBCNUGZLHDPR-UHFFFAOYSA-N
XLogP3.62
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate (CID 67519668) is methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate is CCCCc1c(CCC)cc(C(=O)NC(C)(C)C(=O)OC)c(=O)n1CCCC.
What is the InChIKey of methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate?
The InChIKey is WHZBCNUGZLHDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O4/c1-7-10-13-18-16(12-9-3)15-17(20(26)24(18)14-11-8-2)19(25)23-22(4,5)21(27)28-6/h15H,7-14H2,1-6H3,(H,23,25).
What are the key properties of methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate?
methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate has a molecular weight of 392.54 g/mol, XLogP of 3.62, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 67519668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).