2,3,5-trimethylpyridine-4-carboxamide

C9H12N2O — CID 118022841

IUPAC2,3,5-trimethylpyridine-4-carboxamide
SMILESCc1cnc(C)c(C)c1C(N)=O
InChIInChI=1S/C9H12N2O/c1-5-4-11-7(3)6(2)8(5)9(10)12/h4H,1-3H3,(H2,10,12)
InChIKeyGZPNJXKXVZTASU-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.11
Rot. Bonds1

About 2,3,5-trimethylpyridine-4-carboxamide

2,3,5-trimethylpyridine-4-carboxamide (PubChem CID 118022841) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2,3,5-trimethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,3,5-trimethylpyridine-4-carboxamide
PubChem CID118022841
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2,3,5-trimethylpyridine-4-carboxamide
SMILESCc1cnc(C)c(C)c1C(N)=O
InChIInChI=1S/C9H12N2O/c1-5-4-11-7(3)6(2)8(5)9(10)12/h4H,1-3H3,(H2,10,12)
InChIKeyGZPNJXKXVZTASU-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 2,3,5-trimethylpyridine-4-carboxamide?
The IUPAC name of 2,3,5-trimethylpyridine-4-carboxamide (CID 118022841) is 2,3,5-trimethylpyridine-4-carboxamide.
What is the SMILES notation for 2,3,5-trimethylpyridine-4-carboxamide?
The canonical SMILES for 2,3,5-trimethylpyridine-4-carboxamide is Cc1cnc(C)c(C)c1C(N)=O.
What is the InChIKey of 2,3,5-trimethylpyridine-4-carboxamide?
The InChIKey is GZPNJXKXVZTASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-5-4-11-7(3)6(2)8(5)9(10)12/h4H,1-3H3,(H2,10,12).
What are the key properties of 2,3,5-trimethylpyridine-4-carboxamide?
2,3,5-trimethylpyridine-4-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 2,3,5-trimethylpyridine-4-carboxamide is sourced from PubChem (CID 118022841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).