methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate

C14H16N4O3 — CID 114407156

IUPACmethyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate
SMILESCCOc1ccc(Nc2nc(C(=O)OC)ccc2N)cn1
InChIInChI=1S/C14H16N4O3/c1-3-21-12-7-4-9(8-16-12)17-13-10(15)5-6-11(18-13)14(19)20-2/h4-8H,3,15H2,1-2H3,(H,17,18)
InChIKeyNGLAJTSQLVJSTB-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.99
Rot. Bonds5

About methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate

methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate (PubChem CID 114407156) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate
PubChem CID114407156
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Namemethyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate
SMILESCCOc1ccc(Nc2nc(C(=O)OC)ccc2N)cn1
InChIInChI=1S/C14H16N4O3/c1-3-21-12-7-4-9(8-16-12)17-13-10(15)5-6-11(18-13)14(19)20-2/h4-8H,3,15H2,1-2H3,(H,17,18)
InChIKeyNGLAJTSQLVJSTB-UHFFFAOYSA-N
XLogP1.99
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
CID 114405170
methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate
CID 114404958
5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 114404993
methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate
CID 107586488
methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114254932
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
CID 114404980
4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide
CID 82796373
5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
CID 114407286
methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115424867
methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate
CID 114407264
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methoxybenzamide
CID 104783111

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate (CID 114407156) is methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate is CCOc1ccc(Nc2nc(C(=O)OC)ccc2N)cn1.
What is the InChIKey of methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate?
The InChIKey is NGLAJTSQLVJSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-21-12-7-4-9(8-16-12)17-13-10(15)5-6-11(18-13)14(19)20-2/h4-8H,3,15H2,1-2H3,(H,17,18).
What are the key properties of methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate?
methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate has a molecular weight of 288.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 114407156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).