2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one

C15H26N2O4 — CID 82217360

IUPAC2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one
SMILESCCCCn1c(C)cc(=O)c(O)c1CN(CCO)CCO
InChIInChI=1S/C15H26N2O4/c1-3-4-5-17-12(2)10-14(20)15(21)13(17)11-16(6-8-18)7-9-19/h10,18-19,21H,3-9,11H2,1-2H3
InChIKeyBILFDPLVDPWMPK-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.45
Rot. Bonds9

About 2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one

2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one (PubChem CID 82217360) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one.

Molecular Properties

Compound Name2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one
PubChem CID82217360
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one
SMILESCCCCn1c(C)cc(=O)c(O)c1CN(CCO)CCO
InChIInChI=1S/C15H26N2O4/c1-3-4-5-17-12(2)10-14(20)15(21)13(17)11-16(6-8-18)7-9-19/h10,18-19,21H,3-9,11H2,1-2H3
InChIKeyBILFDPLVDPWMPK-UHFFFAOYSA-N
XLogP0.45
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-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

2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one
CID 94958622
3-hydroxy-1-(2-hydroxyethyl)-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one
CID 82217175
1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217692
1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217833
2-[[bis(2-hydroxyethyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one
CID 82217116
2-[(1-hexyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid
CID 94958943
2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217760
2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one
CID 82217696
2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217802
2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one
CID 94958968
2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 82217173
1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 94958996

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one?
The IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one (CID 82217360) is 2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one.
What is the SMILES notation for 2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one?
The canonical SMILES for 2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one is CCCCn1c(C)cc(=O)c(O)c1CN(CCO)CCO.
What is the InChIKey of 2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one?
The InChIKey is BILFDPLVDPWMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-4-5-17-12(2)10-14(20)15(21)13(17)11-16(6-8-18)7-9-19/h10,18-19,21H,3-9,11H2,1-2H3.
What are the key properties of 2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one?
2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one has a molecular weight of 298.38 g/mol, XLogP of 0.45, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one is sourced from PubChem (CID 82217360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).