N-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide

C16H12N4O3 — CID 3851869

IUPACN-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide
SMILESCC(=O)n1c(O)c(/N=N/C(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C16H12N4O3/c1-10(21)20-13-5-3-2-4-12(13)14(16(20)23)18-19-15(22)11-6-8-17-9-7-11/h2-9,23H,1H3/b19-18+
InChIKeyXYPQWRUXWDEEJT-VHEBQXMUSA-N
MW308.30 g/mol
LogP3.33
Rot. Bonds2

About N-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide

N-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide (PubChem CID 3851869) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide
PubChem CID3851869
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC NameN-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide
SMILESCC(=O)n1c(O)c(/N=N/C(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C16H12N4O3/c1-10(21)20-13-5-3-2-4-12(13)14(16(20)23)18-19-15(22)11-6-8-17-9-7-11/h2-9,23H,1H3/b19-18+
InChIKeyXYPQWRUXWDEEJT-VHEBQXMUSA-N
XLogP3.33
TPSA96.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide?
The IUPAC name of N-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide (CID 3851869) is N-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide.
What is the SMILES notation for N-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide?
The canonical SMILES for N-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide is CC(=O)n1c(O)c(/N=N/C(=O)c2ccncc2)c2ccccc21.
What is the InChIKey of N-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide?
The InChIKey is XYPQWRUXWDEEJT-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H12N4O3/c1-10(21)20-13-5-3-2-4-12(13)14(16(20)23)18-19-15(22)11-6-8-17-9-7-11/h2-9,23H,1H3/b19-18+.
What are the key properties of N-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide?
N-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide is sourced from PubChem (CID 3851869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).