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

C12H12N4O2 — CID 114404958

IUPACmethyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2cccnc2)n1
InChIInChI=1S/C12H12N4O2/c1-18-12(17)10-5-4-9(13)11(16-10)15-8-3-2-6-14-7-8/h2-7H,13H2,1H3,(H,15,16)
InChIKeyJMPPYYHVWCJMEB-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.59
Rot. Bonds3

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

methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate (PubChem CID 114404958) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate
PubChem CID114404958
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Namemethyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2cccnc2)n1
InChIInChI=1S/C12H12N4O2/c1-18-12(17)10-5-4-9(13)11(16-10)15-8-3-2-6-14-7-8/h2-7H,13H2,1H3,(H,15,16)
InChIKeyJMPPYYHVWCJMEB-UHFFFAOYSA-N
XLogP1.59
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
CID 114405170
methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114407156
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
CID 114404980
methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
CID 114406962
5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
CID 114407286
methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate
CID 114408077
methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate
CID 114407006
methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate (CID 114404958) is methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Nc2cccnc2)n1.
What is the InChIKey of methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate?
The InChIKey is JMPPYYHVWCJMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-12(17)10-5-4-9(13)11(16-10)15-8-3-2-6-14-7-8/h2-7H,13H2,1H3,(H,15,16).
What are the key properties of methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate?
methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate has a molecular weight of 244.25 g/mol, XLogP of 1.59, 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-(pyridin-3-ylamino)pyridine-2-carboxylate is sourced from PubChem (CID 114404958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).