6-propan-2-ylpyridine-3-carboxamide

C9H12N2O — CID 821161

IUPAC6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(C(N)=O)cn1
InChIInChI=1S/C9H12N2O/c1-6(2)8-4-3-7(5-11-8)9(10)12/h3-6H,1-2H3,(H2,10,12)
InChIKeyFDFFHYQARQYBBY-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.30
Rot. Bonds2

About 6-propan-2-ylpyridine-3-carboxamide

6-propan-2-ylpyridine-3-carboxamide (PubChem CID 821161) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-propan-2-ylpyridine-3-carboxamide
PubChem CID821161
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(C(N)=O)cn1
InChIInChI=1S/C9H12N2O/c1-6(2)8-4-3-7(5-11-8)9(10)12/h3-6H,1-2H3,(H2,10,12)
InChIKeyFDFFHYQARQYBBY-UHFFFAOYSA-N
XLogP1.30
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-propan-2-ylpyridine-3-carboxamide (CID 821161) is 6-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-propan-2-ylpyridine-3-carboxamide is CC(C)c1ccc(C(N)=O)cn1.
What is the InChIKey of 6-propan-2-ylpyridine-3-carboxamide?
The InChIKey is FDFFHYQARQYBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6(2)8-4-3-7(5-11-8)9(10)12/h3-6H,1-2H3,(H2,10,12).
What are the key properties of 6-propan-2-ylpyridine-3-carboxamide?
6-propan-2-ylpyridine-3-carboxamide has a molecular weight of 164.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 821161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).