4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

C23H18N8O — CID 58102924

About 4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (PubChem CID 58102924) has the molecular formula C23H18N8O and a molecular weight of 422.45 g/mol. Its IUPAC name is 4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
• PubChem CID: 58102924
• Molecular Formula: C23H18N8O
• Molecular Weight: 422.45 g/mol
• Exact Mass: 422.16
• IUPAC Name: 4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
• SMILES: O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2nnc3ccccc32)ccn1
• InChI: InChI=1S/C23H18N8O/c32-23(20-13-18(10-11-24-20)31-21-7-2-1-6-19(21)27-29-31)26-16-5-3-4-15(12-16)22-28-25-14-30(22)17-8-9-17/h1-7,10-14,17H,8-9H2,(H,26,32)
• InChIKey: HYJLJPAFUKVVIP-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 103.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.45
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?

The IUPAC name of 4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (CID 58102924) is 4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?

The canonical SMILES for 4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2nnc3ccccc32)ccn1.

What is the InChIKey of 4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?

The InChIKey is HYJLJPAFUKVVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O/c32-23(20-13-18(10-11-24-20)31-21-7-2-1-6-19(21)27-29-31)26-16-5-3-4-15(12-16)22-28-25-14-30(22)17-8-9-17/h1-7,10-14,17H,8-9H2,(H,26,32).

What are the key properties of 4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?

4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58102924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).