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

C20H32N2O4 — CID 67520056

IUPACmethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-2-methylpropanoate
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC(C)(C)C(=O)OC)c1=O
InChIInChI=1S/C20H32N2O4/c1-7-10-12-22-16(11-8-2)14(9-3)13-15(18(22)24)17(23)21-20(4,5)19(25)26-6/h13H,7-12H2,1-6H3,(H,21,23)
InChIKeyFKUAJIWBAADLHI-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.84
Rot. Bonds9

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

methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-2-methylpropanoate (PubChem CID 67520056) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-2-methylpropanoate
PubChem CID67520056
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Namemethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-2-methylpropanoate
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC(C)(C)C(=O)OC)c1=O
InChIInChI=1S/C20H32N2O4/c1-7-10-12-22-16(11-8-2)14(9-3)13-15(18(22)24)17(23)21-20(4,5)19(25)26-6/h13H,7-12H2,1-6H3,(H,21,23)
InChIKeyFKUAJIWBAADLHI-UHFFFAOYSA-N
XLogP2.84
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-2-methylpropanoate (CID 67520056) is methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-2-methylpropanoate is CCCCn1c(CCC)c(CC)cc(C(=O)NC(C)(C)C(=O)OC)c1=O.
What is the InChIKey of methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-2-methylpropanoate?
The InChIKey is FKUAJIWBAADLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-7-10-12-22-16(11-8-2)14(9-3)13-15(18(22)24)17(23)21-20(4,5)19(25)26-6/h13H,7-12H2,1-6H3,(H,21,23).
What are the key properties of methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-2-methylpropanoate?
methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-2-methylpropanoate has a molecular weight of 364.49 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 67520056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).