propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate

C11H16N2O3 — CID 139807107

IUPACpropyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate
SMILESCCCOC(=O)c1ccc(NC)nc1OC
InChIInChI=1S/C11H16N2O3/c1-4-7-16-11(14)8-5-6-9(12-2)13-10(8)15-3/h5-6H,4,7H2,1-3H3,(H,12,13)
InChIKeyRNXYKYIQZNFEAL-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.70
Rot. Bonds5

About propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate

propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate (PubChem CID 139807107) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namepropyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate
PubChem CID139807107
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namepropyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate
SMILESCCCOC(=O)c1ccc(NC)nc1OC
InChIInChI=1S/C11H16N2O3/c1-4-7-16-11(14)8-5-6-9(12-2)13-10(8)15-3/h5-6H,4,7H2,1-3H3,(H,12,13)
InChIKeyRNXYKYIQZNFEAL-UHFFFAOYSA-N
XLogP1.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
5-ethyl-6-methoxy-N-methylpyridin-2-amine;molecular hydrogen;sulfane
CID 176679300
2-[2-methoxy-6-(methylamino)-3-pyridinyl]-N,N-dimethylacetamide
CID 166541209
propyl 5-amino-2-(methylamino)benzoate
CID 100637694
propyl 2-methylperoxycarbonylbenzoate
CID 151434775
propyl 2-methoxy-4-propylbenzoate
CID 175548133
propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate
CID 141181595
dipropyl tetracene-2,3-dicarboxylate
CID 132917219
propyl 2-amino-5-methoxybenzoate
CID 60837149
propyl 2-amino-4-chloro-3-(methoxymethyl)benzoate
CID 80712724
propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate
CID 3845774

Frequently Asked Questions

What is the IUPAC name of propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate?
The IUPAC name of propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate (CID 139807107) is propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate.
What is the SMILES notation for propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate?
The canonical SMILES for propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate is CCCOC(=O)c1ccc(NC)nc1OC.
What is the InChIKey of propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate?
The InChIKey is RNXYKYIQZNFEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-7-16-11(14)8-5-6-9(12-2)13-10(8)15-3/h5-6H,4,7H2,1-3H3,(H,12,13).
What are the key properties of propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate?
propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate is sourced from PubChem (CID 139807107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).