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

C13H14N4O2 — CID 107586488

IUPACmethyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2cncc(C)c2)n1
InChIInChI=1S/C13H14N4O2/c1-8-5-9(7-15-6-8)16-12-10(14)3-4-11(17-12)13(18)19-2/h3-7H,14H2,1-2H3,(H,16,17)
InChIKeyZGMVQHCSLJKAJB-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.90
Rot. Bonds3

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

methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate (PubChem CID 107586488) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate
PubChem CID107586488
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Namemethyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2cncc(C)c2)n1
InChIInChI=1S/C13H14N4O2/c1-8-5-9(7-15-6-8)16-12-10(14)3-4-11(17-12)13(18)19-2/h3-7H,14H2,1-2H3,(H,16,17)
InChIKeyZGMVQHCSLJKAJB-UHFFFAOYSA-N
XLogP1.90
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114254932
methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate
CID 114404958
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
CID 114404980
methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
CID 114405170
methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate
CID 114047485
methyl 3-amino-4-[(5-methyl-3-pyridinyl)amino]benzoate
CID 107586479
methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114407156
methyl 2-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 107587138
methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate
CID 107593608
methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate
CID 114407264
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate (CID 107586488) is methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Nc2cncc(C)c2)n1.
What is the InChIKey of methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate?
The InChIKey is ZGMVQHCSLJKAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-5-9(7-15-6-8)16-12-10(14)3-4-11(17-12)13(18)19-2/h3-7H,14H2,1-2H3,(H,16,17).
What are the key properties of methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate?
methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 107586488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).