N-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide

C₃₁H₃₀FN₃O₃ — CID 156906939

About N-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide

N-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 156906939) has the molecular formula C₃₁H₃₀FN₃O₃ and a molecular weight of 511.60 g/mol. Its IUPAC name is N-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
• PubChem CID: 156906939
• Molecular Formula: C₃₁H₃₀FN₃O₃
• Molecular Weight: 511.60 g/mol
• Exact Mass: 511.23
• IUPAC Name: N-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
• SMILES: O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1ccccc1C1CCC1)C(=O)c1ccco1
• InChI: InChI=1S/C31H30FN3O3/c32-26-12-3-7-22(19-26)15-17-34-30(36)29(24-11-5-16-33-20-24)35(31(37)28-14-6-18-38-28)21-25-8-1-2-13-27(25)23-9-4-10-23/h1-3,5-8,11-14,16,18-20,23,29H,4,9-10,15,17,21H2,(H,34,36)
• InChIKey: BZADTLDHBNWZMX-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.60
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The IUPAC name of N-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (CID 156906939) is N-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide.

What is the SMILES notation for N-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The canonical SMILES for N-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1ccccc1C1CCC1)C(=O)c1ccco1.

What is the InChIKey of N-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The InChIKey is BZADTLDHBNWZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN3O3/c32-26-12-3-7-22(19-26)15-17-34-30(36)29(24-11-5-16-33-20-24)35(31(37)28-14-6-18-38-28)21-25-8-1-2-13-27(25)23-9-4-10-23/h1-3,5-8,11-14,16,18-20,23,29H,4,9-10,15,17,21H2,(H,34,36).

What are the key properties of N-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

N-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 511.60 g/mol, XLogP of 5.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 156906939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156906939 — identifiers, structure, computed properties (public domain)

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