4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine

C22H22N4 — CID 102417031

IUPAC4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine
SMILESCc1ccc(C)n1-c1ccnc(-c2cc(-n3c(C)ccc3C)ccn2)c1
InChIInChI=1S/C22H22N4/c1-15-5-6-16(2)25(15)19-9-11-23-21(13-19)22-14-20(10-12-24-22)26-17(3)7-8-18(26)4/h5-14H,1-4H3
InChIKeyKZINFVHMVQGDKR-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.96
Rot. Bonds3

About 4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine

4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine (PubChem CID 102417031) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine
PubChem CID102417031
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine
SMILESCc1ccc(C)n1-c1ccnc(-c2cc(-n3c(C)ccc3C)ccn2)c1
InChIInChI=1S/C22H22N4/c1-15-5-6-16(2)25(15)19-9-11-23-21(13-19)22-14-20(10-12-24-22)26-17(3)7-8-18(26)4/h5-14H,1-4H3
InChIKeyKZINFVHMVQGDKR-UHFFFAOYSA-N
XLogP4.96
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine
CID 53416638
1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole
CID 23399439
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
4-pyrrolidin-1-yl-2-(4-pyrrolidin-1-yl-2-pyridinyl)pyridine
CID 11601769
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;oxovanadium
CID 139924983
dichlororuthenium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 11261228
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
3-(2,5-dimethylpyrrol-1-yl)aniline
CID 648465
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine
CID 175245407
4-methyl-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59651145

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine (CID 102417031) is 4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine is Cc1ccc(C)n1-c1ccnc(-c2cc(-n3c(C)ccc3C)ccn2)c1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine?
The InChIKey is KZINFVHMVQGDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-15-5-6-16(2)25(15)19-9-11-23-21(13-19)22-14-20(10-12-24-22)26-17(3)7-8-18(26)4/h5-14H,1-4H3.
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine?
4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine has a molecular weight of 342.45 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-2-[4-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine is sourced from PubChem (CID 102417031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).