N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide

C25H29N5O3 — CID 86969023

About N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide

N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 86969023) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide
• PubChem CID: 86969023
• Molecular Formula: C25H29N5O3
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.23
• IUPAC Name: N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide
• SMILES: CC(CN1CCN(c2ccccn2)CC1)NC(=O)c1ccccc1N(C)C(=O)c1ccco1
• InChI: InChI=1S/C25H29N5O3/c1-19(18-29-13-15-30(16-14-29)23-11-5-6-12-26-23)27-24(31)20-8-3-4-9-21(20)28(2)25(32)22-10-7-17-33-22/h3-12,17,19H,13-16,18H2,1-2H3,(H,27,31)
• InChIKey: DUKMXPFBYPSYPK-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 81.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide?

The IUPAC name of N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide (CID 86969023) is N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide?

The canonical SMILES for N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide is CC(CN1CCN(c2ccccn2)CC1)NC(=O)c1ccccc1N(C)C(=O)c1ccco1.

What is the InChIKey of N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide?

The InChIKey is DUKMXPFBYPSYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-19(18-29-13-15-30(16-14-29)23-11-5-6-12-26-23)27-24(31)20-8-3-4-9-21(20)28(2)25(32)22-10-7-17-33-22/h3-12,17,19H,13-16,18H2,1-2H3,(H,27,31).

What are the key properties of N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide?

N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 86969023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).