N-(1-pyridin-4-ylcyclopropyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide

C23H21N7O — CID 166579255

About N-(1-pyridin-4-ylcyclopropyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide

N-(1-pyridin-4-ylcyclopropyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide (PubChem CID 166579255) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is N-(1-pyridin-4-ylcyclopropyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide.

Molecular Properties

• Compound Name: N-(1-pyridin-4-ylcyclopropyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
• PubChem CID: 166579255
• Molecular Formula: C23H21N7O
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.18
• IUPAC Name: N-(1-pyridin-4-ylcyclopropyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
• SMILES: O=C(NC1(c2ccncc2)CC1)c1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1
• InChI: InChI=1S/C23H21N7O/c31-22(28-23(8-9-23)18-6-12-25-13-7-18)17-2-1-3-19(14-17)26-15-20-27-21(30-29-20)16-4-10-24-11-5-16/h1-7,10-14,26H,8-9,15H2,(H,28,31)(H,27,29,30)
• InChIKey: UXUVIJYULICUQJ-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 108.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylcyclopropyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide?

The IUPAC name of N-(1-pyridin-4-ylcyclopropyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide (CID 166579255) is N-(1-pyridin-4-ylcyclopropyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide.

What is the SMILES notation for N-(1-pyridin-4-ylcyclopropyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide?

The canonical SMILES for N-(1-pyridin-4-ylcyclopropyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide is O=C(NC1(c2ccncc2)CC1)c1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1.

What is the InChIKey of N-(1-pyridin-4-ylcyclopropyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide?

The InChIKey is UXUVIJYULICUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c31-22(28-23(8-9-23)18-6-12-25-13-7-18)17-2-1-3-19(14-17)26-15-20-27-21(30-29-20)16-4-10-24-11-5-16/h1-7,10-14,26H,8-9,15H2,(H,28,31)(H,27,29,30).

What are the key properties of N-(1-pyridin-4-ylcyclopropyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide?

N-(1-pyridin-4-ylcyclopropyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide has a molecular weight of 411.47 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-pyridin-4-ylcyclopropyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide is sourced from PubChem (CID 166579255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).