5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C23H19N5O2 — CID 122540626

IUPAC5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(-c3ccc(C#N)cc3)n3ncnc3c2)c1
InChIInChI=1S/C23H19N5O2/c1-30-20-4-2-3-16(11-20)9-10-25-23(29)19-12-21(28-22(13-19)26-15-27-28)18-7-5-17(14-24)6-8-18/h2-8,11-13,15H,9-10H2,1H3,(H,25,29)
InChIKeyBOFLQVCHXQZMPZ-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.25
Rot. Bonds6

About 5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 122540626) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID122540626
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(-c3ccc(C#N)cc3)n3ncnc3c2)c1
InChIInChI=1S/C23H19N5O2/c1-30-20-4-2-3-16(11-20)9-10-25-23(29)19-12-21(28-22(13-19)26-15-27-28)18-7-5-17(14-24)6-8-18/h2-8,11-13,15H,9-10H2,1H3,(H,25,29)
InChIKeyBOFLQVCHXQZMPZ-UHFFFAOYSA-N
XLogP3.25
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 122540626) is 5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is COc1cccc(CCNC(=O)c2cc(-c3ccc(C#N)cc3)n3ncnc3c2)c1.
What is the InChIKey of 5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is BOFLQVCHXQZMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-30-20-4-2-3-16(11-20)9-10-25-23(29)19-12-21(28-22(13-19)26-15-27-28)18-7-5-17(14-24)6-8-18/h2-8,11-13,15H,9-10H2,1H3,(H,25,29).
What are the key properties of 5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-N-[2-(3-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 122540626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).