5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-1-amine

C42H44N14O5 — CID 158402367

About 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-1-amine

5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-1-amine (PubChem CID 158402367) has the molecular formula C42H44N14O5 and a molecular weight of 824.91 g/mol. Its IUPAC name is 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-1-amine.

Molecular Properties

• Compound Name: 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-1-amine
• PubChem CID: 158402367
• Molecular Formula: C42H44N14O5
• Molecular Weight: 824.91 g/mol
• Exact Mass: 824.36
• IUPAC Name: 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-1-amine
• SMILES: CC(C)(CN)c1nc(-c2ccccc2)n[nH]1.Cc1nc(-c2cncc(C(=O)NCC(C)(C)c3nc(-c4ccccc4)n[nH]3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1
• InChI: InChI=1S/C21H21N7O2.C12H16N4.C9H7N3O3/c1-13-24-18(28-30-13)15-9-16(11-22-10-15)19(29)23-12-21(2,3)20-25-17(26-27-20)14-7-5-4-6-8-14;1-12(2,8-13)11-14-10(15-16-11)9-6-4-3-5-7-9;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h4-11H,12H2,1-3H3,(H,23,29)(H,25,26,27);3-7H,8,13H2,1-2H3,(H,14,15,16);2-4H,1H3,(H,13,14)
• InChIKey: GYGLCFDVMNEAIC-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 279.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	824.91
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-1-amine?

The IUPAC name of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-1-amine (CID 158402367) is 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-1-amine.

What is the SMILES notation for 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-1-amine?

The canonical SMILES for 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-1-amine is CC(C)(CN)c1nc(-c2ccccc2)n[nH]1.Cc1nc(-c2cncc(C(=O)NCC(C)(C)c3nc(-c4ccccc4)n[nH]3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1.

What is the InChIKey of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-1-amine?

The InChIKey is GYGLCFDVMNEAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2.C12H16N4.C9H7N3O3/c1-13-24-18(28-30-13)15-9-16(11-22-10-15)19(29)23-12-21(2,3)20-25-17(26-27-20)14-7-5-4-6-8-14;1-12(2,8-13)11-14-10(15-16-11)9-6-4-3-5-7-9;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h4-11H,12H2,1-3H3,(H,23,29)(H,25,26,27);3-7H,8,13H2,1-2H3,(H,14,15,16);2-4H,1H3,(H,13,14).

What are the key properties of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-1-amine?

5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-1-amine has a molecular weight of 824.91 g/mol, XLogP of 5.78, 11 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-1-amine is sourced from PubChem (CID 158402367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).