4-(6-butan-2-yl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,5-dihydro-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide

C26H28N6O — CID 166691050

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

4-(6-butan-2-yl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,5-dihydro-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide (PubChem CID 166691050) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-(6-butan-2-yl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,5-dihydro-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(6-butan-2-yl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,5-dihydro-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
• PubChem CID: 166691050
• Molecular Formula: C26H28N6O
• Molecular Weight: 440.55 g/mol
• Exact Mass: 440.23
• IUPAC Name: 4-(6-butan-2-yl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,5-dihydro-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
• SMILES: CCC(C)c1ccc(-c2ccnc(C(=O)Nc3cccc(C4NN=CN4C4CC4)c3)c2)cn1
• InChI: InChI=1S/C26H28N6O/c1-3-17(2)23-10-7-20(15-28-23)18-11-12-27-24(14-18)26(33)30-21-6-4-5-19(13-21)25-31-29-16-32(25)22-8-9-22/h4-7,10-17,22,25,31H,3,8-9H2,1-2H3,(H,30,33)
• InChIKey: XPSKKSFVHPKQIB-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 82.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.55
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(6-butan-2-yl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,5-dihydro-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide (CID 166691050) is 4-(6-butan-2-yl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,5-dihydro-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide.

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

The canonical SMILES for 4-(6-butan-2-yl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,5-dihydro-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide is CCC(C)c1ccc(-c2ccnc(C(=O)Nc3cccc(C4NN=CN4C4CC4)c3)c2)cn1.

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

The InChIKey is XPSKKSFVHPKQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-3-17(2)23-10-7-20(15-28-23)18-11-12-27-24(14-18)26(33)30-21-6-4-5-19(13-21)25-31-29-16-32(25)22-8-9-22/h4-7,10-17,22,25,31H,3,8-9H2,1-2H3,(H,30,33).

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

4-(6-butan-2-yl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,5-dihydro-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-butan-2-yl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,5-dihydro-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 166691050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).