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

C23H26N6O2 — CID 58374740

IUPAC1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C23H26N6O2/c24-21(30)17-10-12-28(13-11-17)14-15-4-6-16(7-5-15)19-2-1-3-20-25-23(27-29(19)20)26-22(31)18-8-9-18/h1-7,17-18H,8-14H2,(H2,24,30)(H,26,27,31)
InChIKeyPKHGHFKYJBSJNV-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.44
Rot. Bonds6

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

1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 58374740) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]piperidine-4-carboxamide
PubChem CID58374740
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C23H26N6O2/c24-21(30)17-10-12-28(13-11-17)14-15-4-6-16(7-5-15)19-2-1-3-20-25-23(27-29(19)20)26-22(31)18-8-9-18/h1-7,17-18H,8-14H2,(H2,24,30)(H,26,27,31)
InChIKeyPKHGHFKYJBSJNV-UHFFFAOYSA-N
XLogP2.44
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.44
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]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]piperidine-4-carboxamide (CID 58374740) is 1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2ccc(-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]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is PKHGHFKYJBSJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c24-21(30)17-10-12-28(13-11-17)14-15-4-6-16(7-5-15)19-2-1-3-20-25-23(27-29(19)20)26-22(31)18-8-9-18/h1-7,17-18H,8-14H2,(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]phenyl]methyl]piperidine-4-carboxamide?
1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.44, 6 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]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 58374740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).