4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide

C24H23N7O2 — CID 135347895

About 4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide

4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 135347895) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide
• PubChem CID: 135347895
• Molecular Formula: C24H23N7O2
• Molecular Weight: 441.50 g/mol
• Exact Mass: 441.19
• IUPAC Name: 4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide
• SMILES: CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3ccc(C4CC4)cn3)ccn2)n1
• InChI: InChI=1S/C24H23N7O2/c1-15(2)31-14-27-30-23(31)19-4-3-5-21(28-19)29-24(32)20-12-18(10-11-25-20)33-22-9-8-17(13-26-22)16-6-7-16/h3-5,8-16H,6-7H2,1-2H3,(H,28,29,32)
• InChIKey: RMTYJAYTTDDZGC-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 107.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.50
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide?

The IUPAC name of 4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide (CID 135347895) is 4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide?

The canonical SMILES for 4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3ccc(C4CC4)cn3)ccn2)n1.

What is the InChIKey of 4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide?

The InChIKey is RMTYJAYTTDDZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-15(2)31-14-27-30-23(31)19-4-3-5-21(28-19)29-24(32)20-12-18(10-11-25-20)33-22-9-8-17(13-26-22)16-6-7-16/h3-5,8-16H,6-7H2,1-2H3,(H,28,29,32).

What are the key properties of 4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide?

4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 135347895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).