6-[3-(4-methoxy-4-methylpiperidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide

C27H36N8O4 — CID 170739286

About 6-[3-(4-methoxy-4-methylpiperidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide

6-[3-(4-methoxy-4-methylpiperidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide (PubChem CID 170739286) has the molecular formula C27H36N8O4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 6-[3-(4-methoxy-4-methylpiperidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-(4-methoxy-4-methylpiperidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
• PubChem CID: 170739286
• Molecular Formula: C27H36N8O4
• Molecular Weight: 536.64 g/mol
• Exact Mass: 536.29
• IUPAC Name: 6-[3-(4-methoxy-4-methylpiperidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
• SMILES: CNC(=O)c1cnc(NC(=O)CCN2CCC(C)(OC)CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
• InChI: InChI=1S/C27H36N8O4/c1-27(39-5)10-13-35(14-11-27)12-9-23(36)32-22-15-21(19(16-29-22)26(37)28-2)31-20-8-6-7-18(24(20)38-4)25-30-17-34(3)33-25/h6-8,15-17H,9-14H2,1-5H3,(H,28,37)(H2,29,31,32,36)
• InChIKey: MVDGLJMNZHUKOY-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 135.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.64
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methoxy-4-methylpiperidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide?

The IUPAC name of 6-[3-(4-methoxy-4-methylpiperidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide (CID 170739286) is 6-[3-(4-methoxy-4-methylpiperidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for 6-[3-(4-methoxy-4-methylpiperidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide?

The canonical SMILES for 6-[3-(4-methoxy-4-methylpiperidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(NC(=O)CCN2CCC(C)(OC)CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC.

What is the InChIKey of 6-[3-(4-methoxy-4-methylpiperidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide?

The InChIKey is MVDGLJMNZHUKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N8O4/c1-27(39-5)10-13-35(14-11-27)12-9-23(36)32-22-15-21(19(16-29-22)26(37)28-2)31-20-8-6-7-18(24(20)38-4)25-30-17-34(3)33-25/h6-8,15-17H,9-14H2,1-5H3,(H,28,37)(H2,29,31,32,36).

What are the key properties of 6-[3-(4-methoxy-4-methylpiperidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide?

6-[3-(4-methoxy-4-methylpiperidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide has a molecular weight of 536.64 g/mol, XLogP of 2.82, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(4-methoxy-4-methylpiperidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 170739286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).