N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C24H26N4O4 — CID 46580682

About N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 46580682) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
• PubChem CID: 46580682
• Molecular Formula: C24H26N4O4
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.20
• IUPAC Name: N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
• SMILES: O=C(NC(Cc1ccccc1)C(=O)NCc1cccnc1N1CCOCC1)c1ccco1
• InChI: InChI=1S/C24H26N4O4/c29-23(26-17-19-8-4-10-25-22(19)28-11-14-31-15-12-28)20(16-18-6-2-1-3-7-18)27-24(30)21-9-5-13-32-21/h1-10,13,20H,11-12,14-17H2,(H,26,29)(H,27,30)
• InChIKey: WKYRUGMXVQCZJS-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 96.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 46580682) is N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)NCc1cccnc1N1CCOCC1)c1ccco1.

What is the InChIKey of N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

The InChIKey is WKYRUGMXVQCZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c29-23(26-17-19-8-4-10-25-22(19)28-11-14-31-15-12-28)20(16-18-6-2-1-3-7-18)27-24(30)21-9-5-13-32-21/h1-10,13,20H,11-12,14-17H2,(H,26,29)(H,27,30).

What are the key properties of N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46580682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).