6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid

C11H17N3O2 — CID 106904193

IUPAC6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCNCCN(C)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C11H17N3O2/c1-12-6-7-14(2)8-9-4-3-5-10(13-9)11(15)16/h3-5,12H,6-8H2,1-2H3,(H,15,16)
InChIKeyPRCGQJLNMXPHFY-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.43
Rot. Bonds6

About 6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid

6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904193) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID106904193
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCNCCN(C)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C11H17N3O2/c1-12-6-7-14(2)8-9-4-3-5-10(13-9)11(15)16/h3-5,12H,6-8H2,1-2H3,(H,15,16)
InChIKeyPRCGQJLNMXPHFY-UHFFFAOYSA-N
XLogP0.43
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904183
methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate
CID 106905121
6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904017
N'-[(6-methoxy-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 63984704
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904188
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904019
6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 74233804
6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904043
3-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl-methylamino]-N-methylpropanamide
CID 106918242
6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid
CID 106903990
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid (CID 106904193) is 6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid is CNCCN(C)Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is PRCGQJLNMXPHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-12-6-7-14(2)8-9-4-3-5-10(13-9)11(15)16/h3-5,12H,6-8H2,1-2H3,(H,15,16).
What are the key properties of 6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid?
6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).