methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate

C17H22N4O2 — CID 170119871

IUPACmethyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CNCCNCc2cccc(C)n2)n1
InChIInChI=1S/C17H22N4O2/c1-13-5-3-6-14(20-13)11-18-9-10-19-12-15-7-4-8-16(21-15)17(22)23-2/h3-8,18-19H,9-12H2,1-2H3
InChIKeyKAPDRMNKVUSTAN-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.45
Rot. Bonds8

About methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate

methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate (PubChem CID 170119871) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate
PubChem CID170119871
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Namemethyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CNCCNCc2cccc(C)n2)n1
InChIInChI=1S/C17H22N4O2/c1-13-5-3-6-14(20-13)11-18-9-10-19-12-15-7-4-8-16(21-15)17(22)23-2/h3-8,18-19H,9-12H2,1-2H3
InChIKeyKAPDRMNKVUSTAN-UHFFFAOYSA-N
XLogP1.45
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate
CID 62322853
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
3-[(6-methyl-2-pyridinyl)methylamino]propanamide
CID 62323562
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
cadmium(2+);6-[[2-[(6-carboxylato-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate;dihydrate
CID 139151242
N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 14280569
methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate
CID 79623760
2-[2-[(6-methyl-2-pyridinyl)methylamino]ethoxy]ethanol
CID 62323741
methyl 3-bromo-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate
CID 102766635

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate (CID 170119871) is methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CNCCNCc2cccc(C)n2)n1.
What is the InChIKey of methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate?
The InChIKey is KAPDRMNKVUSTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-5-3-6-14(20-13)11-18-9-10-19-12-15-7-4-8-16(21-15)17(22)23-2/h3-8,18-19H,9-12H2,1-2H3.
What are the key properties of methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate?
methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 170119871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).