2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid

C16H27N3O4 — CID 82218616

IUPAC2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
SMILESCCN(CC)CCCn1cc(O)c(=O)cc1CN(C)CC(=O)O
InChIInChI=1S/C16H27N3O4/c1-4-18(5-2)7-6-8-19-11-15(21)14(20)9-13(19)10-17(3)12-16(22)23/h9,11,21H,4-8,10,12H2,1-3H3,(H,22,23)
InChIKeyDGPYWQFMGZKJHO-UHFFFAOYSA-N
MW325.41 g/mol
LogP0.80
Rot. Bonds10

About 2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid

2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid (PubChem CID 82218616) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
PubChem CID82218616
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
SMILESCCN(CC)CCCn1cc(O)c(=O)cc1CN(C)CC(=O)O
InChIInChI=1S/C16H27N3O4/c1-4-18(5-2)7-6-8-19-11-15(21)14(20)9-13(19)10-17(3)12-16(22)23/h9,11,21H,4-8,10,12H2,1-3H3,(H,22,23)
InChIKeyDGPYWQFMGZKJHO-UHFFFAOYSA-N
XLogP0.80
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid 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-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
CID 82218694
3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid
CID 82218711
2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
CID 94960593
1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218872
2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 94960221
1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218171
2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
CID 82218595
2-[[butyl(methyl)amino]methyl]-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
CID 82218600
4-[2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]butanoic acid
CID 94960541
2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one
CID 94960242
2-[5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1-pyridinyl]acetic acid
CID 94959691
2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one
CID 82218890

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid (CID 82218616) is 2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid is CCN(CC)CCCn1cc(O)c(=O)cc1CN(C)CC(=O)O.
What is the InChIKey of 2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The InChIKey is DGPYWQFMGZKJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-4-18(5-2)7-6-8-19-11-15(21)14(20)9-13(19)10-17(3)12-16(22)23/h9,11,21H,4-8,10,12H2,1-3H3,(H,22,23).
What are the key properties of 2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid has a molecular weight of 325.41 g/mol, XLogP of 0.80, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid is sourced from PubChem (CID 82218616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).