6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile

C12H15N3O — CID 84682801

IUPAC6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1CC1CCNC1
InChIInChI=1S/C12H15N3O/c1-9-2-3-11(6-13)12(16)15(9)8-10-4-5-14-7-10/h2-3,10,14H,4-5,7-8H2,1H3
InChIKeyBTQBRWPOCCDEJO-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.64
Rot. Bonds2

About 6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile

6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile (PubChem CID 84682801) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile
PubChem CID84682801
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1CC1CCNC1
InChIInChI=1S/C12H15N3O/c1-9-2-3-11(6-13)12(16)15(9)8-10-4-5-14-7-10/h2-3,10,14H,4-5,7-8H2,1H3
InChIKeyBTQBRWPOCCDEJO-UHFFFAOYSA-N
XLogP0.64
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile (CID 84682801) is 6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile is Cc1ccc(C#N)c(=O)n1CC1CCNC1.
What is the InChIKey of 6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile?
The InChIKey is BTQBRWPOCCDEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-2-3-11(6-13)12(16)15(9)8-10-4-5-14-7-10/h2-3,10,14H,4-5,7-8H2,1H3.
What are the key properties of 6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile?
6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 84682801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).