3,4-dimethylpyridine-2-carboxamide;hydrochloride

C8H11ClN2O — CID 118095739

IUPAC3,4-dimethylpyridine-2-carboxamide;hydrochloride
SMILESCc1ccnc(C(N)=O)c1C.Cl
InChIInChI=1S/C8H10N2O.ClH/c1-5-3-4-10-7(6(5)2)8(9)11;/h3-4H,1-2H3,(H2,9,11);1H
InChIKeyKFZNYTGKRDGJRZ-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.22
Rot. Bonds1

About 3,4-dimethylpyridine-2-carboxamide;hydrochloride

3,4-dimethylpyridine-2-carboxamide;hydrochloride (PubChem CID 118095739) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 3,4-dimethylpyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,4-dimethylpyridine-2-carboxamide;hydrochloride
PubChem CID118095739
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name3,4-dimethylpyridine-2-carboxamide;hydrochloride
SMILESCc1ccnc(C(N)=O)c1C.Cl
InChIInChI=1S/C8H10N2O.ClH/c1-5-3-4-10-7(6(5)2)8(9)11;/h3-4H,1-2H3,(H2,9,11);1H
InChIKeyKFZNYTGKRDGJRZ-UHFFFAOYSA-N
XLogP1.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpyridine-2-carboxamide;hydrochloride?
The IUPAC name of 3,4-dimethylpyridine-2-carboxamide;hydrochloride (CID 118095739) is 3,4-dimethylpyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3,4-dimethylpyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 3,4-dimethylpyridine-2-carboxamide;hydrochloride is Cc1ccnc(C(N)=O)c1C.Cl.
What is the InChIKey of 3,4-dimethylpyridine-2-carboxamide;hydrochloride?
The InChIKey is KFZNYTGKRDGJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.ClH/c1-5-3-4-10-7(6(5)2)8(9)11;/h3-4H,1-2H3,(H2,9,11);1H.
What are the key properties of 3,4-dimethylpyridine-2-carboxamide;hydrochloride?
3,4-dimethylpyridine-2-carboxamide;hydrochloride has a molecular weight of 186.64 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 118095739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).