2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile

C17H17N3 — CID 47299056

IUPAC2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cccc(C2CCCN2c2ncccc2C#N)c1
InChIInChI=1S/C17H17N3/c1-13-5-2-6-14(11-13)16-8-4-10-20(16)17-15(12-18)7-3-9-19-17/h2-3,5-7,9,11,16H,4,8,10H2,1H3
InChIKeyMXOWFKMWRXDMIH-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.60
Rot. Bonds2

About 2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile

2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 47299056) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID47299056
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cccc(C2CCCN2c2ncccc2C#N)c1
InChIInChI=1S/C17H17N3/c1-13-5-2-6-14(11-13)16-8-4-10-20(16)17-15(12-18)7-3-9-19-17/h2-3,5-7,9,11,16H,4,8,10H2,1H3
InChIKeyMXOWFKMWRXDMIH-UHFFFAOYSA-N
XLogP3.60
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 47299056) is 2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile is Cc1cccc(C2CCCN2c2ncccc2C#N)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is MXOWFKMWRXDMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-5-2-6-14(11-13)16-8-4-10-20(16)17-15(12-18)7-3-9-19-17/h2-3,5-7,9,11,16H,4,8,10H2,1H3.
What are the key properties of 2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 47299056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).