3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine

C25H26N6O — CID 66679302

IUPAC3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
SMILESCc1nnn(-c2ccccn2)c1-c1cccnc1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C25H26N6O/c1-19-25(31(29-28-19)23-8-2-3-13-26-23)22-7-6-14-27-24(22)20-9-11-21(12-10-20)32-18-17-30-15-4-5-16-30/h2-3,6-14H,4-5,15-18H2,1H3
InChIKeyXMQDKABAQMPRBI-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.17
Rot. Bonds7

About 3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine

3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine (PubChem CID 66679302) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine.

Molecular Properties

Compound Name3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
PubChem CID66679302
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
SMILESCc1nnn(-c2ccccn2)c1-c1cccnc1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C25H26N6O/c1-19-25(31(29-28-19)23-8-2-3-13-26-23)22-7-6-14-27-24(22)20-9-11-21(12-10-20)32-18-17-30-15-4-5-16-30/h2-3,6-14H,4-5,15-18H2,1H3
InChIKeyXMQDKABAQMPRBI-UHFFFAOYSA-N
XLogP4.17
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine?
The IUPAC name of 3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine (CID 66679302) is 3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine.
What is the SMILES notation for 3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine?
The canonical SMILES for 3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine is Cc1nnn(-c2ccccn2)c1-c1cccnc1-c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine?
The InChIKey is XMQDKABAQMPRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-19-25(31(29-28-19)23-8-2-3-13-26-23)22-7-6-14-27-24(22)20-9-11-21(12-10-20)32-18-17-30-15-4-5-16-30/h2-3,6-14H,4-5,15-18H2,1H3.
What are the key properties of 3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine?
3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine has a molecular weight of 426.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine is sourced from PubChem (CID 66679302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).