4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide

C23H27N5O2 — CID 70822391

IUPAC4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C23H27N5O2/c1-3-14-27(15-4-2)22(30)18-12-8-16(9-13-18)19-6-5-7-20-24-23(26-28(19)20)25-21(29)17-10-11-17/h5-9,12-13,17H,3-4,10-11,14-15H2,1-2H3,(H,25,26,29)
InChIKeyHSJQNKXLWLXFHA-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.01
Rot. Bonds8

About 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide (PubChem CID 70822391) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide
PubChem CID70822391
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C23H27N5O2/c1-3-14-27(15-4-2)22(30)18-12-8-16(9-13-18)19-6-5-7-20-24-23(26-28(19)20)25-21(29)17-10-11-17/h5-9,12-13,17H,3-4,10-11,14-15H2,1-2H3,(H,25,26,29)
InChIKeyHSJQNKXLWLXFHA-UHFFFAOYSA-N
XLogP4.01
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide (CID 70822391) is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide?
The InChIKey is HSJQNKXLWLXFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-3-14-27(15-4-2)22(30)18-12-8-16(9-13-18)19-6-5-7-20-24-23(26-28(19)20)25-21(29)17-10-11-17/h5-9,12-13,17H,3-4,10-11,14-15H2,1-2H3,(H,25,26,29).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide?
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide has a molecular weight of 405.50 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide is sourced from PubChem (CID 70822391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).