2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one

C16H26N2O2 — CID 82218438

IUPAC2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one
SMILESCCCCN(C)Cc1cc(=O)c(O)cn1C1CCCC1
InChIInChI=1S/C16H26N2O2/c1-3-4-9-17(2)11-14-10-15(19)16(20)12-18(14)13-7-5-6-8-13/h10,12-13,20H,3-9,11H2,1-2H3
InChIKeyISTIPWCDFKNRDQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.90
Rot. Bonds6

About 2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one

2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one (PubChem CID 82218438) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one
PubChem CID82218438
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one
SMILESCCCCN(C)Cc1cc(=O)c(O)cn1C1CCCC1
InChIInChI=1S/C16H26N2O2/c1-3-4-9-17(2)11-14-10-15(19)16(20)12-18(14)13-7-5-6-8-13/h10,12-13,20H,3-9,11H2,1-2H3
InChIKeyISTIPWCDFKNRDQ-UHFFFAOYSA-N
XLogP2.90
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one
CID 94960137
2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one
CID 82218421
1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one
CID 82218423
1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one
CID 82218950
2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one
CID 82218653
2-[[butyl(methyl)amino]methyl]-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
CID 82218600
1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94960122
2-[2-[[butyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid
CID 82218841
1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82218445
1-cyclooctyl-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94960120
5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one
CID 82218761
1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218171

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one?
The IUPAC name of 2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one (CID 82218438) is 2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one.
What is the SMILES notation for 2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one?
The canonical SMILES for 2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one is CCCCN(C)Cc1cc(=O)c(O)cn1C1CCCC1.
What is the InChIKey of 2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one?
The InChIKey is ISTIPWCDFKNRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-4-9-17(2)11-14-10-15(19)16(20)12-18(14)13-7-5-6-8-13/h10,12-13,20H,3-9,11H2,1-2H3.
What are the key properties of 2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one?
2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one has a molecular weight of 278.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one is sourced from PubChem (CID 82218438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).