methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate

C12H19N3O3 — CID 83029565

IUPACmethyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate
SMILESCOCCNCCNc1ccnc(C(=O)OC)c1
InChIInChI=1S/C12H19N3O3/c1-17-8-7-13-5-6-14-10-3-4-15-11(9-10)12(16)18-2/h3-4,9,13H,5-8H2,1-2H3,(H,14,15)
InChIKeyBVJGTMYZEZPBGU-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.52
Rot. Bonds8

About methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate

methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate (PubChem CID 83029565) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate
PubChem CID83029565
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate
SMILESCOCCNCCNc1ccnc(C(=O)OC)c1
InChIInChI=1S/C12H19N3O3/c1-17-8-7-13-5-6-14-10-3-4-15-11(9-10)12(16)18-2/h3-4,9,13H,5-8H2,1-2H3,(H,14,15)
InChIKeyBVJGTMYZEZPBGU-UHFFFAOYSA-N
XLogP0.52
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478
methyl 4-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 66286681
methyl 4-(4,4,4-trifluorobutylamino)pyridine-2-carboxylate
CID 79040373
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
methyl 4-[2-(cycloheptylamino)ethylamino]pyridine-2-carboxylate
CID 115306769
methyl 4-(2-phenylsulfanylethylamino)pyridine-2-carboxylate
CID 66286043
7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid
CID 66290880
N-(4-acetamidophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205974
methyl 4-(3-methylsulfinylpropylamino)pyridine-2-carboxylate
CID 115657520
N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 62665007
methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate
CID 113243750
N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 55101029

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate (CID 83029565) is methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate is COCCNCCNc1ccnc(C(=O)OC)c1.
What is the InChIKey of methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate?
The InChIKey is BVJGTMYZEZPBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-17-8-7-13-5-6-14-10-3-4-15-11(9-10)12(16)18-2/h3-4,9,13H,5-8H2,1-2H3,(H,14,15).
What are the key properties of methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate?
methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate is sourced from PubChem (CID 83029565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).