methyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate

C9H9N3O2 — CID 921274

IUPACmethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N)c1C#N
InChIInChI=1S/C9H9N3O2/c1-5-3-6(9(13)14-2)7(4-10)8(11)12-5/h3H,1-2H3,(H2,11,12)
InChIKeyQMEUYOIDCJBFTA-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.63
Rot. Bonds1

About methyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate

methyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate (PubChem CID 921274) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate
PubChem CID921274
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N)c1C#N
InChIInChI=1S/C9H9N3O2/c1-5-3-6(9(13)14-2)7(4-10)8(11)12-5/h3H,1-2H3,(H2,11,12)
InChIKeyQMEUYOIDCJBFTA-UHFFFAOYSA-N
XLogP0.63
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 6-amino-5-cyano-2-methylpyridine-3-carboxylate
CID 663948
Ethyl 2-chloro-3-cyano-6-methylisonicotinate
CID 142408
Ethyl 3-cyano-6-methyl-2-piperidinoisonicotinate
CID 2813163
Methyl 2-amino-3-cyano-5,6-dimethylpyridine-4-carboxylate
CID 605487
2-Amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid methyl ester
CID 612226
Methyl 2-amino-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
CID 394328
2-Hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate
CID 659803
2-Amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 659732
Methyl 2-amino-6-methylpyridine-3-carboxylate
CID 13952721
Methyl 6-amino-2-methylpyridine-3-carboxylate
CID 55252884
Methyl 6-amino-3-methylpyridine-2-carboxylate
CID 57582322
Methyl 2-amino-5-methylpyridine-4-carboxylate
CID 118326917

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate (CID 921274) is methyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate is COC(=O)c1cc(C)nc(N)c1C#N.
What is the InChIKey of methyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate?
The InChIKey is QMEUYOIDCJBFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5-3-6(9(13)14-2)7(4-10)8(11)12-5/h3H,1-2H3,(H2,11,12).
What are the key properties of methyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate?
methyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 921274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).