3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide

C16H24N2O5 — CID 121401640

IUPAC3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NCC)n(C2(CO)COC2)ccc1=O
InChIInChI=1S/C16H24N2O5/c1-3-5-8-23-14-12(20)6-7-18(13(14)15(21)17-4-2)16(9-19)10-22-11-16/h6-7,19H,3-5,8-11H2,1-2H3,(H,17,21)
InChIKeyKOUQJWJWFGOEQV-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.49
Rot. Bonds8

About 3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide

3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide (PubChem CID 121401640) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide
PubChem CID121401640
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NCC)n(C2(CO)COC2)ccc1=O
InChIInChI=1S/C16H24N2O5/c1-3-5-8-23-14-12(20)6-7-18(13(14)15(21)17-4-2)16(9-19)10-22-11-16/h6-7,19H,3-5,8-11H2,1-2H3,(H,17,21)
InChIKeyKOUQJWJWFGOEQV-UHFFFAOYSA-N
XLogP0.49
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide?
The IUPAC name of 3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide (CID 121401640) is 3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide?
The canonical SMILES for 3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide is CCCCOc1c(C(=O)NCC)n(C2(CO)COC2)ccc1=O.
What is the InChIKey of 3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide?
The InChIKey is KOUQJWJWFGOEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-3-5-8-23-14-12(20)6-7-18(13(14)15(21)17-4-2)16(9-19)10-22-11-16/h6-7,19H,3-5,8-11H2,1-2H3,(H,17,21).
What are the key properties of 3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide?
3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 121401640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).