3,5,6-trimethylpyridine-2-carboxamide

C9H12N2O — CID 23396962

IUPAC3,5,6-trimethylpyridine-2-carboxamide
SMILESCc1cc(C)c(C(N)=O)nc1C
InChIInChI=1S/C9H12N2O/c1-5-4-6(2)8(9(10)12)11-7(5)3/h4H,1-3H3,(H2,10,12)
InChIKeyVUACSOVILKJFJS-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.11
Rot. Bonds1

About 3,5,6-trimethylpyridine-2-carboxamide

3,5,6-trimethylpyridine-2-carboxamide (PubChem CID 23396962) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3,5,6-trimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,5,6-trimethylpyridine-2-carboxamide
PubChem CID23396962
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3,5,6-trimethylpyridine-2-carboxamide
SMILESCc1cc(C)c(C(N)=O)nc1C
InChIInChI=1S/C9H12N2O/c1-5-4-6(2)8(9(10)12)11-7(5)3/h4H,1-3H3,(H2,10,12)
InChIKeyVUACSOVILKJFJS-UHFFFAOYSA-N
XLogP1.11
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethylpyridine-2-carboxamide?
The IUPAC name of 3,5,6-trimethylpyridine-2-carboxamide (CID 23396962) is 3,5,6-trimethylpyridine-2-carboxamide.
What is the SMILES notation for 3,5,6-trimethylpyridine-2-carboxamide?
The canonical SMILES for 3,5,6-trimethylpyridine-2-carboxamide is Cc1cc(C)c(C(N)=O)nc1C.
What is the InChIKey of 3,5,6-trimethylpyridine-2-carboxamide?
The InChIKey is VUACSOVILKJFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-5-4-6(2)8(9(10)12)11-7(5)3/h4H,1-3H3,(H2,10,12).
What are the key properties of 3,5,6-trimethylpyridine-2-carboxamide?
3,5,6-trimethylpyridine-2-carboxamide has a molecular weight of 164.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethylpyridine-2-carboxamide is sourced from PubChem (CID 23396962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).