2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid

C15H25N3O7 — CID 21155023

IUPAC2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid
SMILESCCN(CC)Cc1ncccc1O.CN(C)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C10H16N2O.C3H7NO2.C2H2O4/c1-3-12(4-2)8-9-10(13)6-5-7-11-9;1-4(2)3(5)6;3-1(4)2(5)6/h5-7,13H,3-4,8H2,1-2H3;1-2H3,(H,5,6);(H,3,4)(H,5,6)
InChIKeyQDJCEOSRIYJLGA-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.01
Rot. Bonds4

About 2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid

2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid (PubChem CID 21155023) has the molecular formula C15H25N3O7 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid.

Molecular Properties

Compound Name2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid
PubChem CID21155023
Molecular FormulaC15H25N3O7
Molecular Weight359.38 g/mol
Exact Mass359.17
IUPAC Name2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid
SMILESCCN(CC)Cc1ncccc1O.CN(C)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C10H16N2O.C3H7NO2.C2H2O4/c1-3-12(4-2)8-9-10(13)6-5-7-11-9;1-4(2)3(5)6;3-1(4)2(5)6/h5-7,13H,3-4,8H2,1-2H3;1-2H3,(H,5,6);(H,3,4)(H,5,6)
InChIKeyQDJCEOSRIYJLGA-UHFFFAOYSA-N
XLogP1.01
TPSA151.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[methyl(2-methylpropyl)amino]methyl]pyridin-3-ol
CID 135308026
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 136574744
3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid
CID 55209592
2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol
CID 11370051
ethane;N-ethyl-N,N'-dimethyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine
CID 144504375
(3-hydroxy-2-pyridinyl)methyl-trimethylazanium;acetate;bromide
CID 23622310
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63068298
N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 112649922
N,N-dimethylcarbamate;bis(2-[(1-methylpiperidin-1-ium-1-yl)methyl]pyridin-3-ol);bromide
CID 57352503
2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 114198580
methyl 2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate
CID 175725105
2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 112650853

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid?
The IUPAC name of 2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid (CID 21155023) is 2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid.
What is the SMILES notation for 2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid?
The canonical SMILES for 2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid is CCN(CC)Cc1ncccc1O.CN(C)C(=O)O.O=C(O)C(=O)O.
What is the InChIKey of 2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid?
The InChIKey is QDJCEOSRIYJLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C3H7NO2.C2H2O4/c1-3-12(4-2)8-9-10(13)6-5-7-11-9;1-4(2)3(5)6;3-1(4)2(5)6/h5-7,13H,3-4,8H2,1-2H3;1-2H3,(H,5,6);(H,3,4)(H,5,6).
What are the key properties of 2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid?
2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid has a molecular weight of 359.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)pyridin-3-ol;dimethylcarbamic acid;oxalic acid is sourced from PubChem (CID 21155023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).