6-propyl-2H-pyridine-1-carboxamide

C9H14N2O — CID 90875078

IUPAC6-propyl-2H-pyridine-1-carboxamide
SMILESCCCC1=CC=CCN1C(N)=O
InChIInChI=1S/C9H14N2O/c1-2-5-8-6-3-4-7-11(8)9(10)12/h3-4,6H,2,5,7H2,1H3,(H2,10,12)
InChIKeyIFYISPJAKJLWEU-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.62
Rot. Bonds2

About 6-propyl-2H-pyridine-1-carboxamide

6-propyl-2H-pyridine-1-carboxamide (PubChem CID 90875078) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-propyl-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name6-propyl-2H-pyridine-1-carboxamide
PubChem CID90875078
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name6-propyl-2H-pyridine-1-carboxamide
SMILESCCCC1=CC=CCN1C(N)=O
InChIInChI=1S/C9H14N2O/c1-2-5-8-6-3-4-7-11(8)9(10)12/h3-4,6H,2,5,7H2,1H3,(H2,10,12)
InChIKeyIFYISPJAKJLWEU-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-2H-pyridine-1-carboxamide?
The IUPAC name of 6-propyl-2H-pyridine-1-carboxamide (CID 90875078) is 6-propyl-2H-pyridine-1-carboxamide.
What is the SMILES notation for 6-propyl-2H-pyridine-1-carboxamide?
The canonical SMILES for 6-propyl-2H-pyridine-1-carboxamide is CCCC1=CC=CCN1C(N)=O.
What is the InChIKey of 6-propyl-2H-pyridine-1-carboxamide?
The InChIKey is IFYISPJAKJLWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-5-8-6-3-4-7-11(8)9(10)12/h3-4,6H,2,5,7H2,1H3,(H2,10,12).
What are the key properties of 6-propyl-2H-pyridine-1-carboxamide?
6-propyl-2H-pyridine-1-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2H-pyridine-1-carboxamide is sourced from PubChem (CID 90875078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).