N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C24H26N4O4 — CID 75446828

About N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 75446828) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
• PubChem CID: 75446828
• Molecular Formula: C24H26N4O4
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.20
• IUPAC Name: N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
• SMILES: CC(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(Cn4ccccc4=O)o3)cc2)CC1
• InChI: InChI=1S/C24H26N4O4/c1-18(29)27-14-12-26(13-15-27)16-19-5-7-20(8-6-19)25-24(31)22-10-9-21(32-22)17-28-11-3-2-4-23(28)30/h2-11H,12-17H2,1H3,(H,25,31)
• InChIKey: GCPMLLWFJCKIDZ-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 87.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 75446828) is N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is CC(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(Cn4ccccc4=O)o3)cc2)CC1.

What is the InChIKey of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

The InChIKey is GCPMLLWFJCKIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-18(29)27-14-12-26(13-15-27)16-19-5-7-20(8-6-19)25-24(31)22-10-9-21(32-22)17-28-11-3-2-4-23(28)30/h2-11H,12-17H2,1H3,(H,25,31).

What are the key properties of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 75446828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).