1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one

C18H30N2O2 — CID 94958996

IUPAC1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCCCN(CCC)Cc1c(O)c(=O)cc(C)n1C1CCCC1
InChIInChI=1S/C18H30N2O2/c1-4-10-19(11-5-2)13-16-18(22)17(21)12-14(3)20(16)15-8-6-7-9-15/h12,15,22H,4-11,13H2,1-3H3
InChIKeyGERAAAPVTUQUIE-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.60
Rot. Bonds7

About 1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one

1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one (PubChem CID 94958996) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
PubChem CID94958996
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCCCN(CCC)Cc1c(O)c(=O)cc(C)n1C1CCCC1
InChIInChI=1S/C18H30N2O2/c1-4-10-19(11-5-2)13-16-18(22)17(21)12-14(3)20(16)15-8-6-7-9-15/h12,15,22H,4-11,13H2,1-3H3
InChIKeyGERAAAPVTUQUIE-UHFFFAOYSA-N
XLogP3.60
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217601
1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one
CID 82217874
2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one
CID 82217360
2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217760
2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one
CID 82217424
1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217308
2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid
CID 94958530
1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94959006
1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217692
2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one
CID 94960137
2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one
CID 82218438
2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one
CID 94958968

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
The IUPAC name of 1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one (CID 94958996) is 1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one.
What is the SMILES notation for 1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
The canonical SMILES for 1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one is CCCN(CCC)Cc1c(O)c(=O)cc(C)n1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
The InChIKey is GERAAAPVTUQUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-10-19(11-5-2)13-16-18(22)17(21)12-14(3)20(16)15-8-6-7-9-15/h12,15,22H,4-11,13H2,1-3H3.
What are the key properties of 1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one has a molecular weight of 306.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one is sourced from PubChem (CID 94958996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).