N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide

C24H24N6O2 — CID 141482494

About N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide

N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide (PubChem CID 141482494) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide.

Molecular Properties

• Compound Name: N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide
• PubChem CID: 141482494
• Molecular Formula: C24H24N6O2
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.20
• IUPAC Name: N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide
• SMILES: Cc1ccc(CNC(=O)c2cccc(C(C)Oc3cccnc3Nn3cnnc3)c2)cc1
• InChI: InChI=1S/C24H24N6O2/c1-17-8-10-19(11-9-17)14-26-24(31)21-6-3-5-20(13-21)18(2)32-22-7-4-12-25-23(22)29-30-15-27-28-16-30/h3-13,15-16,18H,14H2,1-2H3,(H,25,29)(H,26,31)
• InChIKey: STSIENJYWQPRES-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide?

The IUPAC name of N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide (CID 141482494) is N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide.

What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide?

The canonical SMILES for N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide is Cc1ccc(CNC(=O)c2cccc(C(C)Oc3cccnc3Nn3cnnc3)c2)cc1.

What is the InChIKey of N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide?

The InChIKey is STSIENJYWQPRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-17-8-10-19(11-9-17)14-26-24(31)21-6-3-5-20(13-21)18(2)32-22-7-4-12-25-23(22)29-30-15-27-28-16-30/h3-13,15-16,18H,14H2,1-2H3,(H,25,29)(H,26,31).

What are the key properties of N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide?

N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide has a molecular weight of 428.50 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide is sourced from PubChem (CID 141482494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).