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

C18H28N2O4 — CID 67520487

IUPACmethyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCCCCn1c(C)c(C)cc(C(=O)NC(C(=O)OC)C(C)C)c1=O
InChIInChI=1S/C18H28N2O4/c1-7-8-9-20-13(5)12(4)10-14(17(20)22)16(21)19-15(11(2)3)18(23)24-6/h10-11,15H,7-9H2,1-6H3,(H,19,21)
InChIKeyDDHGNZFARUUILT-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.19
Rot. Bonds7

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

methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate (PubChem CID 67520487) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate
PubChem CID67520487
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Namemethyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCCCCn1c(C)c(C)cc(C(=O)NC(C(=O)OC)C(C)C)c1=O
InChIInChI=1S/C18H28N2O4/c1-7-8-9-20-13(5)12(4)10-14(17(20)22)16(21)19-15(11(2)3)18(23)24-6/h10-11,15H,7-9H2,1-6H3,(H,19,21)
InChIKeyDDHGNZFARUUILT-UHFFFAOYSA-N
XLogP2.19
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.19
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-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate (CID 67520487) is methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate is CCCCn1c(C)c(C)cc(C(=O)NC(C(=O)OC)C(C)C)c1=O.
What is the InChIKey of methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate?
The InChIKey is DDHGNZFARUUILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-7-8-9-20-13(5)12(4)10-14(17(20)22)16(21)19-15(11(2)3)18(23)24-6/h10-11,15H,7-9H2,1-6H3,(H,19,21).
What are the key properties of methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate has a molecular weight of 336.43 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 67520487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).