1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide

C24H25N5O2 — CID 45166766

About 1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide

1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 45166766) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 45166766
• Molecular Formula: C24H25N5O2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.20
• IUPAC Name: 1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide
• SMILES: O=C(NCC1Cc2cccc(-c3ncccn3)c2O1)C1CCCN(c2ccccn2)C1
• InChI: InChI=1S/C24H25N5O2/c30-24(18-7-4-13-29(16-18)21-9-1-2-10-25-21)28-15-19-14-17-6-3-8-20(22(17)31-19)23-26-11-5-12-27-23/h1-3,5-6,8-12,18-19H,4,7,13-16H2,(H,28,30)
• InChIKey: YCJBFFYUDXTPBD-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of 1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide (CID 45166766) is 1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for 1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide is O=C(NCC1Cc2cccc(-c3ncccn3)c2O1)C1CCCN(c2ccccn2)C1.

What is the InChIKey of 1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide?

The InChIKey is YCJBFFYUDXTPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-24(18-7-4-13-29(16-18)21-9-1-2-10-25-21)28-15-19-14-17-6-3-8-20(22(17)31-19)23-26-11-5-12-27-23/h1-3,5-6,8-12,18-19H,4,7,13-16H2,(H,28,30).

What are the key properties of 1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide?

1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-pyridin-2-yl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45166766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).