[2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate

C16H25N3O4 — CID 142619400

IUPAC[2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate
SMILESCNCC(=O)OCc1cccnc1N(C)C(=O)OCC(C)(C)C
InChIInChI=1S/C16H25N3O4/c1-16(2,3)11-23-15(21)19(5)14-12(7-6-8-18-14)10-22-13(20)9-17-4/h6-8,17H,9-11H2,1-5H3
InChIKeyCYXWEAIOPJYBGY-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.96
Rot. Bonds6

About [2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate

[2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate (PubChem CID 142619400) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is [2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate.

Molecular Properties

Compound Name[2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate
PubChem CID142619400
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name[2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate
SMILESCNCC(=O)OCc1cccnc1N(C)C(=O)OCC(C)(C)C
InChIInChI=1S/C16H25N3O4/c1-16(2,3)11-23-15(21)19(5)14-12(7-6-8-18-14)10-22-13(20)9-17-4/h6-8,17H,9-11H2,1-5H3
InChIKeyCYXWEAIOPJYBGY-UHFFFAOYSA-N
XLogP1.96
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate?
The IUPAC name of [2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate (CID 142619400) is [2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate.
What is the SMILES notation for [2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate?
The canonical SMILES for [2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate is CNCC(=O)OCc1cccnc1N(C)C(=O)OCC(C)(C)C.
What is the InChIKey of [2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate?
The InChIKey is CYXWEAIOPJYBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-16(2,3)11-23-15(21)19(5)14-12(7-6-8-18-14)10-22-13(20)9-17-4/h6-8,17H,9-11H2,1-5H3.
What are the key properties of [2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate?
[2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate has a molecular weight of 323.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate is sourced from PubChem (CID 142619400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).