2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide

C23H15N7O4 — CID 171983173

IUPAC2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)nc1
InChIInChI=1S/C23H15N7O4/c31-20(29-27-18-13-5-1-3-7-15(13)25-22(18)33)12-9-10-17(24-11-12)21(32)30-28-19-14-6-2-4-8-16(14)26-23(19)34/h1-11,25-26,33-34H/b29-27+,30-28+
InChIKeyCKTYZGLZMCQJIW-QAVVBOBSSA-N
MW453.42 g/mol
LogP5.30
Rot. Bonds4

About 2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide

2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide (PubChem CID 171983173) has the molecular formula C23H15N7O4 and a molecular weight of 453.42 g/mol. Its IUPAC name is 2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide
PubChem CID171983173
Molecular FormulaC23H15N7O4
Molecular Weight453.42 g/mol
Exact Mass453.12
IUPAC Name2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)nc1
InChIInChI=1S/C23H15N7O4/c31-20(29-27-18-13-5-1-3-7-15(13)25-22(18)33)12-9-10-17(24-11-12)21(32)30-28-19-14-6-2-4-8-16(14)26-23(19)34/h1-11,25-26,33-34H/b29-27+,30-28+
InChIKeyCKTYZGLZMCQJIW-QAVVBOBSSA-N
XLogP5.30
TPSA168.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.42
LogP ≤ 55.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide (CID 171983173) is 2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)nc1.
What is the InChIKey of 2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide?
The InChIKey is CKTYZGLZMCQJIW-QAVVBOBSSA-N. The full InChI is InChI=1S/C23H15N7O4/c31-20(29-27-18-13-5-1-3-7-15(13)25-22(18)33)12-9-10-17(24-11-12)21(32)30-28-19-14-6-2-4-8-16(14)26-23(19)34/h1-11,25-26,33-34H/b29-27+,30-28+.
What are the key properties of 2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide?
2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide has a molecular weight of 453.42 g/mol, XLogP of 5.30, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 171983173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).