6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate

C13H19N2O3- — CID 140831337

IUPAC6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate
SMILESCc1ccc([O-])c(CN(C)C(=O)COC(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-9(2)18-8-13(17)15(4)7-11-12(16)6-5-10(3)14-11/h5-6,9,16H,7-8H2,1-4H3/p-1
InChIKeyPSBFVRPKHRJHPB-UHFFFAOYSA-M
MW251.31 g/mol
LogP0.85
Rot. Bonds5

About 6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate

6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate (PubChem CID 140831337) has the molecular formula C13H19N2O3- and a molecular weight of 251.31 g/mol. Its IUPAC name is 6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate.

Molecular Properties

Compound Name6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate
PubChem CID140831337
Molecular FormulaC13H19N2O3-
Molecular Weight251.31 g/mol
Exact Mass251.14
IUPAC Name6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate
SMILESCc1ccc([O-])c(CN(C)C(=O)COC(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-9(2)18-8-13(17)15(4)7-11-12(16)6-5-10(3)14-11/h5-6,9,16H,7-8H2,1-4H3/p-1
InChIKeyPSBFVRPKHRJHPB-UHFFFAOYSA-M
XLogP0.85
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate?
The IUPAC name of 6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate (CID 140831337) is 6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate.
What is the SMILES notation for 6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate?
The canonical SMILES for 6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate is Cc1ccc([O-])c(CN(C)C(=O)COC(C)C)n1.
What is the InChIKey of 6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate?
The InChIKey is PSBFVRPKHRJHPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)18-8-13(17)15(4)7-11-12(16)6-5-10(3)14-11/h5-6,9,16H,7-8H2,1-4H3/p-1.
What are the key properties of 6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate?
6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate has a molecular weight of 251.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[methyl-(2-propan-2-yloxyacetyl)amino]methyl]pyridin-3-olate is sourced from PubChem (CID 140831337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).