N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C25H21FN2O3 — CID 134024895

IUPACN-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Cn2ccccc2=O)o1)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H21FN2O3/c1-27(24(18-7-3-2-4-8-18)19-10-12-20(26)13-11-19)25(30)22-15-14-21(31-22)17-28-16-6-5-9-23(28)29/h2-16,24H,17H2,1H3
InChIKeyXCDDECYNDLNJDQ-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.49
Rot. Bonds6

About N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 134024895) has the molecular formula C25H21FN2O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
PubChem CID134024895
Molecular FormulaC25H21FN2O3
Molecular Weight416.45 g/mol
Exact Mass416.15
IUPAC NameN-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Cn2ccccc2=O)o1)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H21FN2O3/c1-27(24(18-7-3-2-4-8-18)19-10-12-20(26)13-11-19)25(30)22-15-14-21(31-22)17-28-16-6-5-9-23(28)29/h2-16,24H,17H2,1H3
InChIKeyXCDDECYNDLNJDQ-UHFFFAOYSA-N
XLogP4.49
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 38230002
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 33282899
N-(2-methylpropyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 47141529
N-(2-hydroxyethyl)-5-[(2-oxo-1-pyridinyl)methyl]-N-propylfuran-2-carboxamide
CID 110887129
N-benzyl-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 38253946
N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946
N-[(2S)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597949
N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31344363
N-[(1R)-1-(2-fluorophenyl)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31343638
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 32634841
5-[(2-oxo-1-pyridinyl)methyl]-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 134024480
5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 47141528

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 134024895) is N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is CN(C(=O)c1ccc(Cn2ccccc2=O)o1)C(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is XCDDECYNDLNJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3/c1-27(24(18-7-3-2-4-8-18)19-10-12-20(26)13-11-19)25(30)22-15-14-21(31-22)17-28-16-6-5-9-23(28)29/h2-16,24H,17H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 134024895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).