2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide

C23H21ClN6O — CID 165414873

IUPAC2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)nc(N2CCCCC2)c1
InChIInChI=1S/C23H21ClN6O/c24-19-13-17(14-20(26-19)29-10-5-2-6-11-29)23(31)25-18-9-12-30-21(15-18)27-22(28-30)16-7-3-1-4-8-16/h1,3-4,7-9,12-15H,2,5-6,10-11H2,(H,25,31)
InChIKeyRHUKFFYUGFDTTH-UHFFFAOYSA-N
MW432.92 g/mol
LogP4.69
Rot. Bonds4

About 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide

2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide (PubChem CID 165414873) has the molecular formula C23H21ClN6O and a molecular weight of 432.92 g/mol. Its IUPAC name is 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide
PubChem CID165414873
Molecular FormulaC23H21ClN6O
Molecular Weight432.92 g/mol
Exact Mass432.15
IUPAC Name2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)nc(N2CCCCC2)c1
InChIInChI=1S/C23H21ClN6O/c24-19-13-17(14-20(26-19)29-10-5-2-6-11-29)23(31)25-18-9-12-30-21(15-18)27-22(28-30)16-7-3-1-4-8-16/h1,3-4,7-9,12-15H,2,5-6,10-11H2,(H,25,31)
InChIKeyRHUKFFYUGFDTTH-UHFFFAOYSA-N
XLogP4.69
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide (CID 165414873) is 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide is O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)nc(N2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide?
The InChIKey is RHUKFFYUGFDTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O/c24-19-13-17(14-20(26-19)29-10-5-2-6-11-29)23(31)25-18-9-12-30-21(15-18)27-22(28-30)16-7-3-1-4-8-16/h1,3-4,7-9,12-15H,2,5-6,10-11H2,(H,25,31).
What are the key properties of 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide?
2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide has a molecular weight of 432.92 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 165414873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).