3-iodo-1-methyl-N-phenylindazole-5-carboxamide

C15H12IN3O — CID 164590946

IUPAC3-iodo-1-methyl-N-phenylindazole-5-carboxamide
SMILESCn1nc(I)c2cc(C(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C15H12IN3O/c1-19-13-8-7-10(9-12(13)14(16)18-19)15(20)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,20)
InChIKeyLSVNYJUYEBCJQW-UHFFFAOYSA-N
MW377.19 g/mol
LogP3.43
Rot. Bonds2

About 3-iodo-1-methyl-N-phenylindazole-5-carboxamide

3-iodo-1-methyl-N-phenylindazole-5-carboxamide (PubChem CID 164590946) has the molecular formula C15H12IN3O and a molecular weight of 377.19 g/mol. Its IUPAC name is 3-iodo-1-methyl-N-phenylindazole-5-carboxamide.

Molecular Properties

Compound Name3-iodo-1-methyl-N-phenylindazole-5-carboxamide
PubChem CID164590946
Molecular FormulaC15H12IN3O
Molecular Weight377.19 g/mol
Exact Mass377.00
IUPAC Name3-iodo-1-methyl-N-phenylindazole-5-carboxamide
SMILESCn1nc(I)c2cc(C(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C15H12IN3O/c1-19-13-8-7-10(9-12(13)14(16)18-19)15(20)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,20)
InChIKeyLSVNYJUYEBCJQW-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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1-methyl-N-phenylpyrrole-3-carboxamide
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CID 53051571
1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide
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CID 144544324

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-methyl-N-phenylindazole-5-carboxamide?
The IUPAC name of 3-iodo-1-methyl-N-phenylindazole-5-carboxamide (CID 164590946) is 3-iodo-1-methyl-N-phenylindazole-5-carboxamide.
What is the SMILES notation for 3-iodo-1-methyl-N-phenylindazole-5-carboxamide?
The canonical SMILES for 3-iodo-1-methyl-N-phenylindazole-5-carboxamide is Cn1nc(I)c2cc(C(=O)Nc3ccccc3)ccc21.
What is the InChIKey of 3-iodo-1-methyl-N-phenylindazole-5-carboxamide?
The InChIKey is LSVNYJUYEBCJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O/c1-19-13-8-7-10(9-12(13)14(16)18-19)15(20)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,20).
What are the key properties of 3-iodo-1-methyl-N-phenylindazole-5-carboxamide?
3-iodo-1-methyl-N-phenylindazole-5-carboxamide has a molecular weight of 377.19 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methyl-N-phenylindazole-5-carboxamide is sourced from PubChem (CID 164590946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).