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

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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).