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

C31H30FN3O3 — CID 156906939

IUPACN-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1ccccc1C1CCC1)C(=O)c1ccco1
InChIInChI=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)
InChIKeyBZADTLDHBNWZMX-UHFFFAOYSA-N
MW511.60 g/mol
LogP5.82
Rot. Bonds10

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 NameN-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
PubChem CID156906939
Molecular FormulaC31H30FN3O3
Molecular Weight511.60 g/mol
Exact Mass511.23
IUPAC NameN-[(2-cyclobutylphenyl)methyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1ccccc1C1CCC1)C(=O)c1ccco1
InChIInChI=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)
InChIKeyBZADTLDHBNWZMX-UHFFFAOYSA-N
XLogP5.82
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.60
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).