1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide

C23H24N6O3 — CID 67328746

IUPAC1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C23H24N6O3/c24-20(30)15-10-12-28(13-11-15)22(32)17-8-4-14(5-9-17)18-2-1-3-19-25-23(27-29(18)19)26-21(31)16-6-7-16/h1-5,8-9,15-16H,6-7,10-13H2,(H2,24,30)(H,26,27,31)
InChIKeyDNYSCCJRXVLIEK-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.08
Rot. Bonds5

About 1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide

1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide (PubChem CID 67328746) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide
PubChem CID67328746
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C23H24N6O3/c24-20(30)15-10-12-28(13-11-15)22(32)17-8-4-14(5-9-17)18-2-1-3-19-25-23(27-29(18)19)26-21(31)16-6-7-16/h1-5,8-9,15-16H,6-7,10-13H2,(H2,24,30)(H,26,27,31)
InChIKeyDNYSCCJRXVLIEK-UHFFFAOYSA-N
XLogP2.08
TPSA122.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide (CID 67328746) is 1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1.
What is the InChIKey of 1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide?
The InChIKey is DNYSCCJRXVLIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c24-20(30)15-10-12-28(13-11-15)22(32)17-8-4-14(5-9-17)18-2-1-3-19-25-23(27-29(18)19)26-21(31)16-6-7-16/h1-5,8-9,15-16H,6-7,10-13H2,(H2,24,30)(H,26,27,31).
What are the key properties of 1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide?
1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 67328746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).