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

C24H24N6O2 — CID 46881935

IUPACN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(triazol-2-yl)benzamide
SMILESO=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-n1nccn1
InChIInChI=1S/C24H24N6O2/c31-23(19-4-3-12-25-16-19)17-26-13-11-18-7-9-20(10-8-18)29-24(32)21-5-1-2-6-22(21)30-27-14-15-28-30/h1-10,12,14-16,23,26,31H,11,13,17H2,(H,29,32)/t23-/m0/s1
InChIKeyJANYIILYPVTKHH-QHCPKHFHSA-N
MW428.50 g/mol
LogP2.78
Rot. Bonds9

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

N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(triazol-2-yl)benzamide (PubChem CID 46881935) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(triazol-2-yl)benzamide
PubChem CID46881935
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(triazol-2-yl)benzamide
SMILESO=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-n1nccn1
InChIInChI=1S/C24H24N6O2/c31-23(19-4-3-12-25-16-19)17-26-13-11-18-7-9-20(10-8-18)29-24(32)21-5-1-2-6-22(21)30-27-14-15-28-30/h1-10,12,14-16,23,26,31H,11,13,17H2,(H,29,32)/t23-/m0/s1
InChIKeyJANYIILYPVTKHH-QHCPKHFHSA-N
XLogP2.78
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(triazol-2-yl)benzamide (CID 46881935) is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(triazol-2-yl)benzamide is O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-n1nccn1.
What is the InChIKey of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(triazol-2-yl)benzamide?
The InChIKey is JANYIILYPVTKHH-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24N6O2/c31-23(19-4-3-12-25-16-19)17-26-13-11-18-7-9-20(10-8-18)29-24(32)21-5-1-2-6-22(21)30-27-14-15-28-30/h1-10,12,14-16,23,26,31H,11,13,17H2,(H,29,32)/t23-/m0/s1.
What are the key properties of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(triazol-2-yl)benzamide?
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(triazol-2-yl)benzamide has a molecular weight of 428.50 g/mol, XLogP of 2.78, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 46881935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).