methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate

C12H20N4O2 — CID 114090370

IUPACmethyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N(C)CCN(C)C)ncc1N
InChIInChI=1S/C12H20N4O2/c1-15(2)5-6-16(3)11-7-9(12(17)18-4)10(13)8-14-11/h7-8H,5-6,13H2,1-4H3
InChIKeyOJQYRWVGRWUTCF-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.45
Rot. Bonds5

About methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate

methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate (PubChem CID 114090370) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate
PubChem CID114090370
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Namemethyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N(C)CCN(C)C)ncc1N
InChIInChI=1S/C12H20N4O2/c1-15(2)5-6-16(3)11-7-9(12(17)18-4)10(13)8-14-11/h7-8H,5-6,13H2,1-4H3
InChIKeyOJQYRWVGRWUTCF-UHFFFAOYSA-N
XLogP0.45
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate
CID 114089987
ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate
CID 114090078
methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate
CID 114090125
methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate
CID 114090241
methyl 5-amino-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylate
CID 114090067
5-amino-2-[2-(dimethylamino)ethyl-propylamino]pyridine-4-carboxamide
CID 114090298
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide
CID 114090087
5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114090453
methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate
CID 106039508
ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate
CID 114090076
methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate
CID 114090864
methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate
CID 114194762

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate (CID 114090370) is methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate is COC(=O)c1cc(N(C)CCN(C)C)ncc1N.
What is the InChIKey of methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate?
The InChIKey is OJQYRWVGRWUTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15(2)5-6-16(3)11-7-9(12(17)18-4)10(13)8-14-11/h7-8H,5-6,13H2,1-4H3.
What are the key properties of methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate?
methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate has a molecular weight of 252.32 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate is sourced from PubChem (CID 114090370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).