methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate

C11H16N2O4 — CID 107389941

IUPACmethyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC(OC)OC
InChIInChI=1S/C11H16N2O4/c1-15-9(16-2)7-13-10-8(11(14)17-3)5-4-6-12-10/h4-6,9H,7H2,1-3H3,(H,12,13)
InChIKeyJEBSRQZVIPWVBV-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.90
Rot. Bonds6

About methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate

methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate (PubChem CID 107389941) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
PubChem CID107389941
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC(OC)OC
InChIInChI=1S/C11H16N2O4/c1-15-9(16-2)7-13-10-8(11(14)17-3)5-4-6-12-10/h4-6,9H,7H2,1-3H3,(H,12,13)
InChIKeyJEBSRQZVIPWVBV-UHFFFAOYSA-N
XLogP0.90
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid
CID 106108531
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793
methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
CID 114617741
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314
methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63243766
methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
CID 104695593
methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
CID 55098006
methyl 3-(2,2-dimethoxyethylamino)-2-methylbenzoate
CID 63697063
methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate
CID 79247382

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate (CID 107389941) is methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate is COC(=O)c1cccnc1NCC(OC)OC.
What is the InChIKey of methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate?
The InChIKey is JEBSRQZVIPWVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-15-9(16-2)7-13-10-8(11(14)17-3)5-4-6-12-10/h4-6,9H,7H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate?
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 107389941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).