3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide

C24H27N5O3 — CID 42866759

About 3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide

3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 42866759) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide
• PubChem CID: 42866759
• Molecular Formula: C24H27N5O3
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.21
• IUPAC Name: 3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(Cc3ccc(C)o3)CC2)cc1
• InChI: InChI=1S/C24H27N5O3/c1-16-3-6-18(7-4-16)23(30)28-22-21(25-11-12-26-22)24(31)27-19-9-13-29(14-10-19)15-20-8-5-17(2)32-20/h3-8,11-12,19H,9-10,13-15H2,1-2H3,(H,27,31)(H,26,28,30)
• InChIKey: DLLXEKFHGDEQKJ-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide?

The IUPAC name of 3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide (CID 42866759) is 3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide is Cc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(Cc3ccc(C)o3)CC2)cc1.

What is the InChIKey of 3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide?

The InChIKey is DLLXEKFHGDEQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16-3-6-18(7-4-16)23(30)28-22-21(25-11-12-26-22)24(31)27-19-9-13-29(14-10-19)15-20-8-5-17(2)32-20/h3-8,11-12,19H,9-10,13-15H2,1-2H3,(H,27,31)(H,26,28,30).

What are the key properties of 3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide?

3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 42866759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).