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

C27H24FN3O4 — CID 156906950

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C27H24FN3O4/c1-34-23-11-9-22(10-12-23)31(27(33)24-8-4-16-35-24)25(20-6-3-14-29-18-20)26(32)30-15-13-19-5-2-7-21(28)17-19/h2-12,14,16-18,25H,13,15H2,1H3,(H,30,32)
InChIKeyFRJIZPGLFJUFBY-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.57
Rot. Bonds9

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

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide (PubChem CID 156906950) has the molecular formula C27H24FN3O4 and a molecular weight of 473.50 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
PubChem CID156906950
Molecular FormulaC27H24FN3O4
Molecular Weight473.50 g/mol
Exact Mass473.18
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C27H24FN3O4/c1-34-23-11-9-22(10-12-23)31(27(33)24-8-4-16-35-24)25(20-6-3-14-29-18-20)26(32)30-15-13-19-5-2-7-21(28)17-19/h2-12,14,16-18,25H,13,15H2,1H3,(H,30,32)
InChIKeyFRJIZPGLFJUFBY-UHFFFAOYSA-N
XLogP4.57
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 156906837
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 156906938
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(3-methoxyphenoxy)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53308727
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(5-methoxy-4-methyl-3-pyridinyl)-2-oxoethyl]furan-2-carboxamide
CID 156906911
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-thiazole-4-carboxamide
CID 156906398
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211629
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]furan-2-carboxamide
CID 156906947
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltetrazol-2-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 156906404
N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 46897843
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide
CID 156906789
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 156906406
N-(4-butan-2-ylphenyl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 46897842

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide (CID 156906950) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide is COc1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
The InChIKey is FRJIZPGLFJUFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O4/c1-34-23-11-9-22(10-12-23)31(27(33)24-8-4-16-35-24)25(20-6-3-14-29-18-20)26(32)30-15-13-19-5-2-7-21(28)17-19/h2-12,14,16-18,25H,13,15H2,1H3,(H,30,32).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 156906950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).