5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide

C23H20ClN5O2 — CID 55990155

About 5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide

5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 55990155) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
• PubChem CID: 55990155
• Molecular Formula: C23H20ClN5O2
• Molecular Weight: 433.90 g/mol
• Exact Mass: 433.13
• IUPAC Name: 5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
• SMILES: CC(C)Oc1ncc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1Cl
• InChI: InChI=1S/C23H20ClN5O2/c1-14(2)31-23-18(24)12-16(13-25-23)22(30)26-19-11-7-6-10-17(19)21-27-20(28-29-21)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,26,30)(H,27,28,29)
• InChIKey: TYNJNOQTOCPKLS-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.90
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide (CID 55990155) is 5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?

The canonical SMILES for 5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ncc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1Cl.

What is the InChIKey of 5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?

The InChIKey is TYNJNOQTOCPKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-14(2)31-23-18(24)12-16(13-25-23)22(30)26-19-11-7-6-10-17(19)21-27-20(28-29-21)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,26,30)(H,27,28,29).

What are the key properties of 5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?

5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 55990155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).