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

C16H29N3O2 — CID 82217692

IUPAC1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCCN(CC)CCCn1c(C)cc(=O)c(O)c1CN(C)C
InChIInChI=1S/C16H29N3O2/c1-6-18(7-2)9-8-10-19-13(3)11-15(20)16(21)14(19)12-17(4)5/h11,21H,6-10,12H2,1-5H3
InChIKeyMMCPPSKRVGYTKO-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.66
Rot. Bonds8

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

1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one (PubChem CID 82217692) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
PubChem CID82217692
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCCN(CC)CCCn1c(C)cc(=O)c(O)c1CN(C)C
InChIInChI=1S/C16H29N3O2/c1-6-18(7-2)9-8-10-19-13(3)11-15(20)16(21)14(19)12-17(4)5/h11,21H,6-10,12H2,1-5H3
InChIKeyMMCPPSKRVGYTKO-UHFFFAOYSA-N
XLogP1.66
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217833
2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one
CID 82217360
2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methylpyridin-4-one
CID 82217696
2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217760
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-[(1-hexyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid
CID 94958943
2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one
CID 94958622
2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
CID 82217209
1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217308
2-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217638
2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 82217173

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
The IUPAC name of 1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one (CID 82217692) is 1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
The canonical SMILES for 1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one is CCN(CC)CCCn1c(C)cc(=O)c(O)c1CN(C)C.
What is the InChIKey of 1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
The InChIKey is MMCPPSKRVGYTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-18(7-2)9-8-10-19-13(3)11-15(20)16(21)14(19)12-17(4)5/h11,21H,6-10,12H2,1-5H3.
What are the key properties of 1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one has a molecular weight of 295.43 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one is sourced from PubChem (CID 82217692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).