3-methylpyridine-2,6-dicarboxamide;dihydrochloride

C8H11Cl2N3O2 — CID 175165301

IUPAC3-methylpyridine-2,6-dicarboxamide;dihydrochloride
SMILESCc1ccc(C(N)=O)nc1C(N)=O.Cl.Cl
InChIInChI=1S/C8H9N3O2.2ClH/c1-4-2-3-5(7(9)12)11-6(4)8(10)13;;/h2-3H,1H3,(H2,9,12)(H2,10,13);2*1H
InChIKeyBMCGKLQVGGFYIW-UHFFFAOYSA-N
MW252.10 g/mol
LogP0.43
Rot. Bonds2

About 3-methylpyridine-2,6-dicarboxamide;dihydrochloride

3-methylpyridine-2,6-dicarboxamide;dihydrochloride (PubChem CID 175165301) has the molecular formula C8H11Cl2N3O2 and a molecular weight of 252.10 g/mol. Its IUPAC name is 3-methylpyridine-2,6-dicarboxamide;dihydrochloride.

Molecular Properties

Compound Name3-methylpyridine-2,6-dicarboxamide;dihydrochloride
PubChem CID175165301
Molecular FormulaC8H11Cl2N3O2
Molecular Weight252.10 g/mol
Exact Mass251.02
IUPAC Name3-methylpyridine-2,6-dicarboxamide;dihydrochloride
SMILESCc1ccc(C(N)=O)nc1C(N)=O.Cl.Cl
InChIInChI=1S/C8H9N3O2.2ClH/c1-4-2-3-5(7(9)12)11-6(4)8(10)13;;/h2-3H,1H3,(H2,9,12)(H2,10,13);2*1H
InChIKeyBMCGKLQVGGFYIW-UHFFFAOYSA-N
XLogP0.43
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-5-methylpyridine-2-carboxamide
CID 149344798
3-hexylpyridine-2,6-dicarboxamide
CID 70459845
3,4-dimethylpyridine-2-carboxamide;hydrochloride
CID 118095739
5-methyl-6-pyridin-3-ylpyridine-2-carboxamide
CID 175790528
6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride
CID 18953842
3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide
CID 170589414
5-amino-6-(difluoromethyl)-3-methylpyridine-2-carboxamide
CID 130106784
2-methylquinoline;quinoline-2-carboxamide
CID 174829911
6-methoxypyridine-2-carboxamide;hydrochloride
CID 172737528
6-cyclopropyl-5-methylpyridine-2-carboxylic acid
CID 118990646
N,5,6-trimethylpyridine-2-carboxamide
CID 131113985
quinoline-2-carboxamide;hydrobromide
CID 141009871

Frequently Asked Questions

What is the IUPAC name of 3-methylpyridine-2,6-dicarboxamide;dihydrochloride?
The IUPAC name of 3-methylpyridine-2,6-dicarboxamide;dihydrochloride (CID 175165301) is 3-methylpyridine-2,6-dicarboxamide;dihydrochloride.
What is the SMILES notation for 3-methylpyridine-2,6-dicarboxamide;dihydrochloride?
The canonical SMILES for 3-methylpyridine-2,6-dicarboxamide;dihydrochloride is Cc1ccc(C(N)=O)nc1C(N)=O.Cl.Cl.
What is the InChIKey of 3-methylpyridine-2,6-dicarboxamide;dihydrochloride?
The InChIKey is BMCGKLQVGGFYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2.2ClH/c1-4-2-3-5(7(9)12)11-6(4)8(10)13;;/h2-3H,1H3,(H2,9,12)(H2,10,13);2*1H.
What are the key properties of 3-methylpyridine-2,6-dicarboxamide;dihydrochloride?
3-methylpyridine-2,6-dicarboxamide;dihydrochloride has a molecular weight of 252.10 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyridine-2,6-dicarboxamide;dihydrochloride is sourced from PubChem (CID 175165301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).