N-(4-cyclopentylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide

C31H30FN3O3 — CID 156906936

IUPACN-(4-cyclopentylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C2CCCC2)cc1
InChIInChI=1S/C31H30FN3O3/c32-26-10-3-6-22(20-26)16-18-34-30(36)29(25-9-4-17-33-21-25)35(31(37)28-11-5-19-38-28)27-14-12-24(13-15-27)23-7-1-2-8-23/h3-6,9-15,17,19-21,23,29H,1-2,7-8,16,18H2,(H,34,36)
InChIKeyFXMUCWQWZQMNSJ-UHFFFAOYSA-N
MW511.60 g/mol
LogP6.22
Rot. Bonds9

About N-(4-cyclopentylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide

N-(4-cyclopentylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 156906936) has the molecular formula C31H30FN3O3 and a molecular weight of 511.60 g/mol. Its IUPAC name is N-(4-cyclopentylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
PubChem CID156906936
Molecular FormulaC31H30FN3O3
Molecular Weight511.60 g/mol
Exact Mass511.23
IUPAC NameN-(4-cyclopentylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C2CCCC2)cc1
InChIInChI=1S/C31H30FN3O3/c32-26-10-3-6-22(20-26)16-18-34-30(36)29(25-9-4-17-33-21-25)35(31(37)28-11-5-19-38-28)27-14-12-24(13-15-27)23-7-1-2-8-23/h3-6,9-15,17,19-21,23,29H,1-2,7-8,16,18H2,(H,34,36)
InChIKeyFXMUCWQWZQMNSJ-UHFFFAOYSA-N
XLogP6.22
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.60
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?
The IUPAC name of N-(4-cyclopentylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (CID 156906936) is N-(4-cyclopentylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-cyclopentylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-(4-cyclopentylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C2CCCC2)cc1.
What is the InChIKey of N-(4-cyclopentylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?
The InChIKey is FXMUCWQWZQMNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN3O3/c32-26-10-3-6-22(20-26)16-18-34-30(36)29(25-9-4-17-33-21-25)35(31(37)28-11-5-19-38-28)27-14-12-24(13-15-27)23-7-1-2-8-23/h3-6,9-15,17,19-21,23,29H,1-2,7-8,16,18H2,(H,34,36).
What are the key properties of N-(4-cyclopentylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?
N-(4-cyclopentylphenyl)-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 6.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 156906936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).