2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide

C26H25N3O3 — CID 46881980

IUPAC2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1ccco1
InChIInChI=1S/C26H25N3O3/c30-24(20-5-3-14-27-17-20)18-28-15-13-19-9-11-21(12-10-19)29-26(31)23-7-2-1-6-22(23)25-8-4-16-32-25/h1-12,14,16-17,24,28,30H,13,15,18H2,(H,29,31)/t24-/m0/s1
InChIKeyMPWADXHKWGRJAZ-DEOSSOPVSA-N
MW427.50 g/mol
LogP4.46
Rot. Bonds9

About 2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide

2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide (PubChem CID 46881980) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide
PubChem CID46881980
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1ccco1
InChIInChI=1S/C26H25N3O3/c30-24(20-5-3-14-27-17-20)18-28-15-13-19-9-11-21(12-10-19)29-26(31)23-7-2-1-6-22(23)25-8-4-16-32-25/h1-12,14,16-17,24,28,30H,13,15,18H2,(H,29,31)/t24-/m0/s1
InChIKeyMPWADXHKWGRJAZ-DEOSSOPVSA-N
XLogP4.46
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide?
The IUPAC name of 2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide (CID 46881980) is 2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for 2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide is O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide?
The InChIKey is MPWADXHKWGRJAZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H25N3O3/c30-24(20-5-3-14-27-17-20)18-28-15-13-19-9-11-21(12-10-19)29-26(31)23-7-2-1-6-22(23)25-8-4-16-32-25/h1-12,14,16-17,24,28,30H,13,15,18H2,(H,29,31)/t24-/m0/s1.
What are the key properties of 2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide?
2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide has a molecular weight of 427.50 g/mol, XLogP of 4.46, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 46881980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).