methyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate

C19H16N4O4 — CID 69231403

IUPACmethyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)OC)c(Nc3ccccn3)n2)nc1
InChIInChI=1S/C19H16N4O4/c1-26-18(24)12-6-8-14(21-11-12)15-9-7-13(19(25)27-2)17(22-15)23-16-5-3-4-10-20-16/h3-11H,1-2H3,(H,20,22,23)
InChIKeyWBJJVSMDCSHRQJ-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.86
Rot. Bonds5

About methyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate

methyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate (PubChem CID 69231403) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is methyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate
PubChem CID69231403
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Namemethyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)OC)c(Nc3ccccn3)n2)nc1
InChIInChI=1S/C19H16N4O4/c1-26-18(24)12-6-8-14(21-11-12)15-9-7-13(19(25)27-2)17(22-15)23-16-5-3-4-10-20-16/h3-11H,1-2H3,(H,20,22,23)
InChIKeyWBJJVSMDCSHRQJ-UHFFFAOYSA-N
XLogP2.86
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)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

Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate (CID 69231403) is methyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate is COC(=O)c1ccc(-c2ccc(C(=O)OC)c(Nc3ccccn3)n2)nc1.
What is the InChIKey of methyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate?
The InChIKey is WBJJVSMDCSHRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-26-18(24)12-6-8-14(21-11-12)15-9-7-13(19(25)27-2)17(22-15)23-16-5-3-4-10-20-16/h3-11H,1-2H3,(H,20,22,23).
What are the key properties of methyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate?
methyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate has a molecular weight of 364.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 69231403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).