5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile

C13H15N3O — CID 1471733

IUPAC5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(N2CCCC2)nc1C
InChIInChI=1S/C13H15N3O/c1-9-12(10(2)17)7-11(8-14)13(15-9)16-5-3-4-6-16/h7H,3-6H2,1-2H3
InChIKeyAJSPMRMCRGNSHE-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.06
Rot. Bonds2

About 5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile

5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile (PubChem CID 1471733) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
PubChem CID1471733
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(N2CCCC2)nc1C
InChIInChI=1S/C13H15N3O/c1-9-12(10(2)17)7-11(8-14)13(15-9)16-5-3-4-6-16/h7H,3-6H2,1-2H3
InChIKeyAJSPMRMCRGNSHE-UHFFFAOYSA-N
XLogP2.06
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile (CID 1471733) is 5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile is CC(=O)c1cc(C#N)c(N2CCCC2)nc1C.
What is the InChIKey of 5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The InChIKey is AJSPMRMCRGNSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-12(10(2)17)7-11(8-14)13(15-9)16-5-3-4-6-16/h7H,3-6H2,1-2H3.
What are the key properties of 5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile has a molecular weight of 229.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 1471733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).