4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide

C16H12Cl3N5O2 — CID 3887268

IUPAC4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide
SMILESCCn1c(O)c(/N=N/C(=O)c2nc(Cl)c(Cl)c(N)c2Cl)c2ccccc21
InChIInChI=1S/C16H12Cl3N5O2/c1-2-24-8-6-4-3-5-7(8)12(16(24)26)22-23-15(25)13-9(17)11(20)10(18)14(19)21-13/h3-6,26H,2H2,1H3,(H2,20,21)/b23-22+
InChIKeyYWVWWVTVLQBEKD-GHVJWSGMSA-N
MW412.66 g/mol
LogP5.23
Rot. Bonds3

About 4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide

4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide (PubChem CID 3887268) has the molecular formula C16H12Cl3N5O2 and a molecular weight of 412.66 g/mol. Its IUPAC name is 4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide
PubChem CID3887268
Molecular FormulaC16H12Cl3N5O2
Molecular Weight412.66 g/mol
Exact Mass411.01
IUPAC Name4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide
SMILESCCn1c(O)c(/N=N/C(=O)c2nc(Cl)c(Cl)c(N)c2Cl)c2ccccc21
InChIInChI=1S/C16H12Cl3N5O2/c1-2-24-8-6-4-3-5-7(8)12(16(24)26)22-23-15(25)13-9(17)11(20)10(18)14(19)21-13/h3-6,26H,2H2,1H3,(H2,20,21)/b23-22+
InChIKeyYWVWWVTVLQBEKD-GHVJWSGMSA-N
XLogP5.23
TPSA105.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.66
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide?
The IUPAC name of 4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide (CID 3887268) is 4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide.
What is the SMILES notation for 4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide?
The canonical SMILES for 4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide is CCn1c(O)c(/N=N/C(=O)c2nc(Cl)c(Cl)c(N)c2Cl)c2ccccc21.
What is the InChIKey of 4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide?
The InChIKey is YWVWWVTVLQBEKD-GHVJWSGMSA-N. The full InChI is InChI=1S/C16H12Cl3N5O2/c1-2-24-8-6-4-3-5-7(8)12(16(24)26)22-23-15(25)13-9(17)11(20)10(18)14(19)21-13/h3-6,26H,2H2,1H3,(H2,20,21)/b23-22+.
What are the key properties of 4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide?
4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide has a molecular weight of 412.66 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide is sourced from PubChem (CID 3887268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).