4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile

C13H17N3 — CID 177218204

IUPAC4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CN(c2ccnc(C#N)c2)CC1(C)C
InChIInChI=1S/C13H17N3/c1-10-8-16(9-13(10,2)3)12-4-5-15-11(6-12)7-14/h4-6,10H,8-9H2,1-3H3
InChIKeyOUJDLRGMMISJPN-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.44
Rot. Bonds1

About 4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile

4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile (PubChem CID 177218204) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile
PubChem CID177218204
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CN(c2ccnc(C#N)c2)CC1(C)C
InChIInChI=1S/C13H17N3/c1-10-8-16(9-13(10,2)3)12-4-5-15-11(6-12)7-14/h4-6,10H,8-9H2,1-3H3
InChIKeyOUJDLRGMMISJPN-UHFFFAOYSA-N
XLogP2.44
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile (CID 177218204) is 4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile is CC1CN(c2ccnc(C#N)c2)CC1(C)C.
What is the InChIKey of 4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is OUJDLRGMMISJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-8-16(9-13(10,2)3)12-4-5-15-11(6-12)7-14/h4-6,10H,8-9H2,1-3H3.
What are the key properties of 4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile?
4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 177218204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).