5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide

C24H24BrN3O4 — CID 55842324

IUPAC5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C24H24BrN3O4/c25-21-10-9-20(32-21)24(30)28-18-7-5-16(6-8-18)13-22(29)27-15-17-11-12-26-23(14-17)31-19-3-1-2-4-19/h5-12,14,19H,1-4,13,15H2,(H,27,29)(H,28,30)
InChIKeyLAJNLTWEIXFOHI-UHFFFAOYSA-N
MW498.38 g/mol
LogP4.87
Rot. Bonds8

About 5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 55842324) has the molecular formula C24H24BrN3O4 and a molecular weight of 498.38 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID55842324
Molecular FormulaC24H24BrN3O4
Molecular Weight498.38 g/mol
Exact Mass497.10
IUPAC Name5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C24H24BrN3O4/c25-21-10-9-20(32-21)24(30)28-18-7-5-16(6-8-18)13-22(29)27-15-17-11-12-26-23(14-17)31-19-3-1-2-4-19/h5-12,14,19H,1-4,13,15H2,(H,27,29)(H,28,30)
InChIKeyLAJNLTWEIXFOHI-UHFFFAOYSA-N
XLogP4.87
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.38
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
CID 155289416
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
N-[1-[(4-bromoanilino)-oxomethyl]cyclohexyl]-N-(2-furanylmethyl)-2-pyridinecarboxamide
CID 1282817
N-(4-{[(2-pyridinylmethyl)amino]carbonyl}phenyl)-2-furamide
CID 839474
(4,5-Dibromofuran-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 42606460
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 156893039
5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 5295600
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-(3,4-dimethyl-phenyl)-carbamoyl]-methyl}-amide
CID 644741
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-amide
CID 645184
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-(2-ethoxy-phenyl)-carbamoyl]-methyl}-amide
CID 648115

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide (CID 55842324) is 5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide is O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NCc1ccnc(OC2CCCC2)c1.
What is the InChIKey of 5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is LAJNLTWEIXFOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O4/c25-21-10-9-20(32-21)24(30)28-18-7-5-16(6-8-18)13-22(29)27-15-17-11-12-26-23(14-17)31-19-3-1-2-4-19/h5-12,14,19H,1-4,13,15H2,(H,27,29)(H,28,30).
What are the key properties of 5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 498.38 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55842324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).