N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide

C23H24FN3O3 — CID 3488560

IUPACN-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NCc2cccnc2)Cc2ccc(F)cc2)c(C)o1
InChIInChI=1S/C23H24FN3O3/c1-16-12-21(17(2)30-16)23(29)27(15-18-5-7-20(24)8-6-18)11-9-22(28)26-14-19-4-3-10-25-13-19/h3-8,10,12-13H,9,11,14-15H2,1-2H3,(H,26,28)
InChIKeyQHZAJXIMPIMMTP-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.78
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide

N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide (PubChem CID 3488560) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide
PubChem CID3488560
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NCc2cccnc2)Cc2ccc(F)cc2)c(C)o1
InChIInChI=1S/C23H24FN3O3/c1-16-12-21(17(2)30-16)23(29)27(15-18-5-7-20(24)8-6-18)11-9-22(28)26-14-19-4-3-10-25-13-19/h3-8,10,12-13H,9,11,14-15H2,1-2H3,(H,26,28)
InChIKeyQHZAJXIMPIMMTP-UHFFFAOYSA-N
XLogP3.78
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide with MolForge

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Related Compounds

N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 4148902
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
CID 4181128
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide
CID 42779751
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
N-benzyl-N-[3-(tert-butylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 4154565
N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 815268
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780264
N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 5204065
N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide
CID 42779908
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
3-[(4-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82324870
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113161783

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide (CID 3488560) is N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide is Cc1cc(C(=O)N(CCC(=O)NCc2cccnc2)Cc2ccc(F)cc2)c(C)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide?
The InChIKey is QHZAJXIMPIMMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-16-12-21(17(2)30-16)23(29)27(15-18-5-7-20(24)8-6-18)11-9-22(28)26-14-19-4-3-10-25-13-19/h3-8,10,12-13H,9,11,14-15H2,1-2H3,(H,26,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide?
N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide is sourced from PubChem (CID 3488560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).