6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile

C13H15N3O — CID 79036597

IUPAC6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
SMILESCC1CN(C(=O)c2ccc(C#N)cn2)CC1C
InChIInChI=1S/C13H15N3O/c1-9-7-16(8-10(9)2)13(17)12-4-3-11(5-14)6-15-12/h3-4,6,9-10H,7-8H2,1-2H3
InChIKeyBAMGKLICFUVCGF-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.68
Rot. Bonds1

About 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile

6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile (PubChem CID 79036597) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
PubChem CID79036597
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
SMILESCC1CN(C(=O)c2ccc(C#N)cn2)CC1C
InChIInChI=1S/C13H15N3O/c1-9-7-16(8-10(9)2)13(17)12-4-3-11(5-14)6-15-12/h3-4,6,9-10H,7-8H2,1-2H3
InChIKeyBAMGKLICFUVCGF-UHFFFAOYSA-N
XLogP1.68
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 103900440
6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 102677644
6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63719374
6-(4-aminopiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 63723580
6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 64598709
6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63724415
6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 63717900
6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile
CID 65281399
6-[2-(bromomethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 102788235
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide
CID 79181657
6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile
CID 63719120
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959900

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile (CID 79036597) is 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile is CC1CN(C(=O)c2ccc(C#N)cn2)CC1C.
What is the InChIKey of 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile?
The InChIKey is BAMGKLICFUVCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-7-16(8-10(9)2)13(17)12-4-3-11(5-14)6-15-12/h3-4,6,9-10H,7-8H2,1-2H3.
What are the key properties of 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile?
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile has a molecular weight of 229.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79036597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).