3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide

C22H18N6O — CID 53232420

IUPAC3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(-c2ccc3nc(Nc4ccccc4C#N)nn3c2)c1
InChIInChI=1S/C22H18N6O/c1-2-24-21(29)16-8-5-7-15(12-16)18-10-11-20-26-22(27-28(20)14-18)25-19-9-4-3-6-17(19)13-23/h3-12,14H,2H2,1H3,(H,24,29)(H,25,27)
InChIKeyQVOWVYINWZNYKV-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.76
Rot. Bonds5

About 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide

3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide (PubChem CID 53232420) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide
PubChem CID53232420
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(-c2ccc3nc(Nc4ccccc4C#N)nn3c2)c1
InChIInChI=1S/C22H18N6O/c1-2-24-21(29)16-8-5-7-15(12-16)18-10-11-20-26-22(27-28(20)14-18)25-19-9-4-3-6-17(19)13-23/h3-12,14H,2H2,1H3,(H,24,29)(H,25,27)
InChIKeyQVOWVYINWZNYKV-UHFFFAOYSA-N
XLogP3.76
TPSA95.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide?
The IUPAC name of 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide (CID 53232420) is 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide.
What is the SMILES notation for 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide?
The canonical SMILES for 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide is CCNC(=O)c1cccc(-c2ccc3nc(Nc4ccccc4C#N)nn3c2)c1.
What is the InChIKey of 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide?
The InChIKey is QVOWVYINWZNYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-2-24-21(29)16-8-5-7-15(12-16)18-10-11-20-26-22(27-28(20)14-18)25-19-9-4-3-6-17(19)13-23/h3-12,14H,2H2,1H3,(H,24,29)(H,25,27).
What are the key properties of 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide?
3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide has a molecular weight of 382.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-ethylbenzamide is sourced from PubChem (CID 53232420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).