1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one

C15H27N3O2 — CID 82217833

IUPAC1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)C)n1CCCCN(C)C
InChIInChI=1S/C15H27N3O2/c1-12-10-14(19)15(20)13(11-17(4)5)18(12)9-7-6-8-16(2)3/h10,20H,6-9,11H2,1-5H3
InChIKeyNZCJQQXEARRWLI-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.27
Rot. Bonds7

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

1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one (PubChem CID 82217833) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
PubChem CID82217833
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)C)n1CCCCN(C)C
InChIInChI=1S/C15H27N3O2/c1-12-10-14(19)15(20)13(11-17(4)5)18(12)9-7-6-8-16(2)3/h10,20H,6-9,11H2,1-5H3
InChIKeyNZCJQQXEARRWLI-UHFFFAOYSA-N
XLogP1.27
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217692
2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 82217841
2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one
CID 82217696
2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-4-one
CID 82217101
1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 70805278
3-hydroxy-1-(2-hydroxyethyl)-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one
CID 82217175
2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one
CID 82217360
2-[(1-hexyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid
CID 94958943
2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
CID 82217209
2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 82217173
2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217638
1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one
CID 82212099

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
The IUPAC name of 1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one (CID 82217833) is 1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one.
What is the SMILES notation for 1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
The canonical SMILES for 1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one is Cc1cc(=O)c(O)c(CN(C)C)n1CCCCN(C)C.
What is the InChIKey of 1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
The InChIKey is NZCJQQXEARRWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12-10-14(19)15(20)13(11-17(4)5)18(12)9-7-6-8-16(2)3/h10,20H,6-9,11H2,1-5H3.
What are the key properties of 1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one has a molecular weight of 281.40 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one is sourced from PubChem (CID 82217833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).