methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate

C13H21N3O2 — CID 106905121

IUPACmethyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate
SMILESCNCCCN(C)Cc1cccc(C(=O)OC)n1
InChIInChI=1S/C13H21N3O2/c1-14-8-5-9-16(2)10-11-6-4-7-12(15-11)13(17)18-3/h4,6-7,14H,5,8-10H2,1-3H3
InChIKeyUMXPWQKZHUNVMD-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.91
Rot. Bonds7

About methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate

methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate (PubChem CID 106905121) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate
PubChem CID106905121
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate
SMILESCNCCCN(C)Cc1cccc(C(=O)OC)n1
InChIInChI=1S/C13H21N3O2/c1-14-8-5-9-16(2)10-11-6-4-7-12(15-11)13(17)18-3/h4,6-7,14H,5,8-10H2,1-3H3
InChIKeyUMXPWQKZHUNVMD-UHFFFAOYSA-N
XLogP0.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.91
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

6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904193
methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate
CID 106905254
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
N'-[(6-methoxy-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 63984704
methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909022
methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate
CID 155721260
6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904183
3-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl-methylamino]-N-methylpropanamide
CID 106918242
1-[6-(hydroxymethyl)-2-pyridinyl]ethanone;methyl 6-acetylpyridine-2-carboxylate
CID 161351278

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate (CID 106905121) is methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate is CNCCCN(C)Cc1cccc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate?
The InChIKey is UMXPWQKZHUNVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-14-8-5-9-16(2)10-11-6-4-7-12(15-11)13(17)18-3/h4,6-7,14H,5,8-10H2,1-3H3.
What are the key properties of methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate?
methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 106905121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).