6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile

C13H15N3O2 — CID 64598709

IUPAC6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
SMILESCOCC1CCN(C(=O)c2ccc(C#N)cn2)C1
InChIInChI=1S/C13H15N3O2/c1-18-9-11-4-5-16(8-11)13(17)12-3-2-10(6-14)7-15-12/h2-3,7,11H,4-5,8-9H2,1H3
InChIKeyWZFXZOQOXPRTLK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.06
Rot. Bonds3

About 6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile

6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile (PubChem CID 64598709) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
PubChem CID64598709
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
SMILESCOCC1CCN(C(=O)c2ccc(C#N)cn2)C1
InChIInChI=1S/C13H15N3O2/c1-18-9-11-4-5-16(8-11)13(17)12-3-2-10(6-14)7-15-12/h2-3,7,11H,4-5,8-9H2,1H3
InChIKeyWZFXZOQOXPRTLK-UHFFFAOYSA-N
XLogP1.06
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63724415
6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 102677644
6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 103900440
6-(4-aminopiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 63723580
6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63719374
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 79036597
6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 63717900
6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile
CID 128973859
6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide
CID 63980352
5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685568
(5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 113268061
6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile
CID 65281399

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile (CID 64598709) is 6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile is COCC1CCN(C(=O)c2ccc(C#N)cn2)C1.
What is the InChIKey of 6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile?
The InChIKey is WZFXZOQOXPRTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-9-11-4-5-16(8-11)13(17)12-3-2-10(6-14)7-15-12/h2-3,7,11H,4-5,8-9H2,1H3.
What are the key properties of 6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile?
6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile has a molecular weight of 245.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile is sourced from PubChem (CID 64598709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).