methyl 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate

C19H30N2O4 — CID 67520245

IUPACmethyl 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCCCCn1c(CC)c(C)cc(C(=O)NC(C(=O)OC)C(C)C)c1=O
InChIInChI=1S/C19H30N2O4/c1-7-9-10-21-15(8-2)13(5)11-14(18(21)23)17(22)20-16(12(3)4)19(24)25-6/h11-12,16H,7-10H2,1-6H3,(H,20,22)
InChIKeyLBNHNRRDAZOIEM-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.45
Rot. Bonds8

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

methyl 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate (PubChem CID 67520245) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is methyl 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate
PubChem CID67520245
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Namemethyl 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCCCCn1c(CC)c(C)cc(C(=O)NC(C(=O)OC)C(C)C)c1=O
InChIInChI=1S/C19H30N2O4/c1-7-9-10-21-15(8-2)13(5)11-14(18(21)23)17(22)20-16(12(3)4)19(24)25-6/h11-12,16H,7-10H2,1-6H3,(H,20,22)
InChIKeyLBNHNRRDAZOIEM-UHFFFAOYSA-N
XLogP2.45
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.45
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-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate (CID 67520245) is methyl 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate is CCCCn1c(CC)c(C)cc(C(=O)NC(C(=O)OC)C(C)C)c1=O.
What is the InChIKey of methyl 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate?
The InChIKey is LBNHNRRDAZOIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-7-9-10-21-15(8-2)13(5)11-14(18(21)23)17(22)20-16(12(3)4)19(24)25-6/h11-12,16H,7-10H2,1-6H3,(H,20,22).
What are the key properties of methyl 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate has a molecular weight of 350.46 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 67520245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).