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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Related Compounds

3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide
CID 121404102
tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate
CID 67471526
3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide
CID 71030988
3-butoxy-4-oxopyran-2-carboxylic acid
CID 87065598
3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one
CID 90068928
3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide
CID 88560108
1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide
CID 143761971
1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 134484200
3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 67471510
4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 71617633
(4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione
CID 90245194
4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764949

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).