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

Diethyl dipicolinate
CID 254510
Ethyl 2-pyridinecarboxylate
CID 17307
2-Carbomethoxypyridine
CID 75569
6-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 4019172
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
Dimethyl pyridine-2,6-carboxylate
CID 79549
Methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3243117
6-[[2-[(6-Carboxy-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylic acid
CID 58567052
Butyl pyridine-2-carboxylate
CID 79285
Decyl pyridine-2-carboxylate
CID 219539
Ethyl 6-acetylpyridine-2-carboxylate
CID 11586434
6-(Methylcarbamoyl)pyridine-2-carboxylic acid
CID 43558273

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).