2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile

C14H13N5 — CID 166257527

IUPAC2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC1c1ncccn1
InChIInChI=1S/C14H13N5/c15-10-11-4-1-6-18-14(11)19-9-2-5-12(19)13-16-7-3-8-17-13/h1,3-4,6-8,12H,2,5,9H2
InChIKeyTVQQZKRXJBFLIP-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.08
Rot. Bonds2

About 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile

2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile (PubChem CID 166257527) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
PubChem CID166257527
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC1c1ncccn1
InChIInChI=1S/C14H13N5/c15-10-11-4-1-6-18-14(11)19-9-2-5-12(19)13-16-7-3-8-17-13/h1,3-4,6-8,12H,2,5,9H2
InChIKeyTVQQZKRXJBFLIP-UHFFFAOYSA-N
XLogP2.08
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile (CID 166257527) is 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile is N#Cc1cccnc1N1CCCC1c1ncccn1.
What is the InChIKey of 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is TVQQZKRXJBFLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c15-10-11-4-1-6-18-14(11)19-9-2-5-12(19)13-16-7-3-8-17-13/h1,3-4,6-8,12H,2,5,9H2.
What are the key properties of 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 166257527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).