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

C17H26N2O4 — CID 69475722

IUPACethyl 3-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoate
SMILESCCCCn1c(C)c(C)cc(C(=O)NCCC(=O)OCC)c1=O
InChIInChI=1S/C17H26N2O4/c1-5-7-10-19-13(4)12(3)11-14(17(19)22)16(21)18-9-8-15(20)23-6-2/h11H,5-10H2,1-4H3,(H,18,21)
InChIKeyGUGKWPYTCJVPDY-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.95
Rot. Bonds8

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

ethyl 3-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoate (PubChem CID 69475722) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is ethyl 3-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoate
PubChem CID69475722
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nameethyl 3-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoate
SMILESCCCCn1c(C)c(C)cc(C(=O)NCCC(=O)OCC)c1=O
InChIInChI=1S/C17H26N2O4/c1-5-7-10-19-13(4)12(3)11-14(17(19)22)16(21)18-9-8-15(20)23-6-2/h11H,5-10H2,1-4H3,(H,18,21)
InChIKeyGUGKWPYTCJVPDY-UHFFFAOYSA-N
XLogP1.95
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoate (CID 69475722) is ethyl 3-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoate is CCCCn1c(C)c(C)cc(C(=O)NCCC(=O)OCC)c1=O.
What is the InChIKey of ethyl 3-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoate?
The InChIKey is GUGKWPYTCJVPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-5-7-10-19-13(4)12(3)11-14(17(19)22)16(21)18-9-8-15(20)23-6-2/h11H,5-10H2,1-4H3,(H,18,21).
What are the key properties of ethyl 3-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoate?
ethyl 3-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoate has a molecular weight of 322.41 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 69475722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).