methyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate

C16H18N2O3 — CID 71918033

IUPACmethyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H18N2O3/c1-18(11-12-6-4-7-13(10-12)20-2)14-8-5-9-17-15(14)16(19)21-3/h4-10H,11H2,1-3H3
InChIKeyJQHWJUCRERGHPX-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.51
Rot. Bonds5

About methyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate

methyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate (PubChem CID 71918033) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate
PubChem CID71918033
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H18N2O3/c1-18(11-12-6-4-7-13(10-12)20-2)14-8-5-9-17-15(14)16(19)21-3/h4-10H,11H2,1-3H3
InChIKeyJQHWJUCRERGHPX-UHFFFAOYSA-N
XLogP2.51
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate 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 methyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate (CID 71918033) is methyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate is COC(=O)c1ncccc1N(C)Cc1cccc(OC)c1.
What is the InChIKey of methyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate?
The InChIKey is JQHWJUCRERGHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18(11-12-6-4-7-13(10-12)20-2)14-8-5-9-17-15(14)16(19)21-3/h4-10H,11H2,1-3H3.
What are the key properties of methyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate?
methyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxyphenyl)methyl-methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 71918033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).