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

C23H24N6O2 — CID 46881575

IUPAC2-(benzotriazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide
SMILESO=C(Cn1nc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C23H24N6O2/c30-22(18-4-3-12-24-14-18)15-25-13-11-17-7-9-19(10-8-17)26-23(31)16-29-27-20-5-1-2-6-21(20)28-29/h1-10,12,14,22,25,30H,11,13,15-16H2,(H,26,31)/t22-/m0/s1
InChIKeyYFPNDOUEDIRYBY-QFIPXVFZSA-N
MW416.49 g/mol
LogP2.33
Rot. Bonds9

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

2-(benzotriazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide (PubChem CID 46881575) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide
PubChem CID46881575
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-(benzotriazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide
SMILESO=C(Cn1nc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C23H24N6O2/c30-22(18-4-3-12-24-14-18)15-25-13-11-17-7-9-19(10-8-17)26-23(31)16-29-27-20-5-1-2-6-21(20)28-29/h1-10,12,14,22,25,30H,11,13,15-16H2,(H,26,31)/t22-/m0/s1
InChIKeyYFPNDOUEDIRYBY-QFIPXVFZSA-N
XLogP2.33
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(benzotriazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide (CID 46881575) is 2-(benzotriazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide is O=C(Cn1nc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
The InChIKey is YFPNDOUEDIRYBY-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24N6O2/c30-22(18-4-3-12-24-14-18)15-25-13-11-17-7-9-19(10-8-17)26-23(31)16-29-27-20-5-1-2-6-21(20)28-29/h1-10,12,14,22,25,30H,11,13,15-16H2,(H,26,31)/t22-/m0/s1.
What are the key properties of 2-(benzotriazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
2-(benzotriazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide has a molecular weight of 416.49 g/mol, XLogP of 2.33, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 46881575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).