2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile

C26H21N5O — CID 22318960

IUPAC2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccc(N3CCCC3)nc2)c1=O
InChIInChI=1S/C26H21N5O/c27-16-19-7-1-2-8-22(19)23-15-20(24-9-3-4-12-28-24)18-31(26(23)32)21-10-11-25(29-17-21)30-13-5-6-14-30/h1-4,7-12,15,17-18H,5-6,13-14H2
InChIKeyTZKBXZJJBVQDBP-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.43
Rot. Bonds4

About 2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile

2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile (PubChem CID 22318960) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile
PubChem CID22318960
Molecular FormulaC26H21N5O
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC Name2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccc(N3CCCC3)nc2)c1=O
InChIInChI=1S/C26H21N5O/c27-16-19-7-1-2-8-22(19)23-15-20(24-9-3-4-12-28-24)18-31(26(23)32)21-10-11-25(29-17-21)30-13-5-6-14-30/h1-4,7-12,15,17-18H,5-6,13-14H2
InChIKeyTZKBXZJJBVQDBP-UHFFFAOYSA-N
XLogP4.43
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile?
The IUPAC name of 2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile (CID 22318960) is 2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccc(N3CCCC3)nc2)c1=O.
What is the InChIKey of 2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile?
The InChIKey is TZKBXZJJBVQDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c27-16-19-7-1-2-8-22(19)23-15-20(24-9-3-4-12-28-24)18-31(26(23)32)21-10-11-25(29-17-21)30-13-5-6-14-30/h1-4,7-12,15,17-18H,5-6,13-14H2.
What are the key properties of 2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile?
2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile has a molecular weight of 419.49 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-pyridin-2-yl-1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 22318960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).