N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide

C22H18N4O2 — CID 1365608

IUPACN-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide
SMILESO=C(/N=N/c1c(O)n(CCc2ccccc2)c2ccccc12)c1ccncc1
InChIInChI=1S/C22H18N4O2/c27-21(17-10-13-23-14-11-17)25-24-20-18-8-4-5-9-19(18)26(22(20)28)15-12-16-6-2-1-3-7-16/h1-11,13-14,28H,12,15H2/b25-24+
InChIKeyQOXDHTDUIUQUMY-OCOZRVBESA-N
MW370.41 g/mol
LogP4.91
Rot. Bonds5

About N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide

N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide (PubChem CID 1365608) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide
PubChem CID1365608
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide
SMILESO=C(/N=N/c1c(O)n(CCc2ccccc2)c2ccccc12)c1ccncc1
InChIInChI=1S/C22H18N4O2/c27-21(17-10-13-23-14-11-17)25-24-20-18-8-4-5-9-19(18)26(22(20)28)15-12-16-6-2-1-3-7-16/h1-11,13-14,28H,12,15H2/b25-24+
InChIKeyQOXDHTDUIUQUMY-OCOZRVBESA-N
XLogP4.91
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide?
The IUPAC name of N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide (CID 1365608) is N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide is O=C(/N=N/c1c(O)n(CCc2ccccc2)c2ccccc12)c1ccncc1.
What is the InChIKey of N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide?
The InChIKey is QOXDHTDUIUQUMY-OCOZRVBESA-N. The full InChI is InChI=1S/C22H18N4O2/c27-21(17-10-13-23-14-11-17)25-24-20-18-8-4-5-9-19(18)26(22(20)28)15-12-16-6-2-1-3-7-16/h1-11,13-14,28H,12,15H2/b25-24+.
What are the key properties of N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide?
N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide is sourced from PubChem (CID 1365608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).