2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide

C13H11ClIN3O — CID 107606088

IUPAC2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(I)cc2Cl)cc(N)n1
InChIInChI=1S/C13H11ClIN3O/c1-7-4-8(5-12(16)17-7)13(19)18-11-3-2-9(15)6-10(11)14/h2-6H,1H3,(H2,16,17)(H,18,19)
InChIKeyVOYSKYJFFJSWPY-UHFFFAOYSA-N
MW387.61 g/mol
LogP3.48
Rot. Bonds2

About 2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide

2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide (PubChem CID 107606088) has the molecular formula C13H11ClIN3O and a molecular weight of 387.61 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide
PubChem CID107606088
Molecular FormulaC13H11ClIN3O
Molecular Weight387.61 g/mol
Exact Mass386.96
IUPAC Name2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(I)cc2Cl)cc(N)n1
InChIInChI=1S/C13H11ClIN3O/c1-7-4-8(5-12(16)17-7)13(19)18-11-3-2-9(15)6-10(11)14/h2-6H,1H3,(H2,16,17)(H,18,19)
InChIKeyVOYSKYJFFJSWPY-UHFFFAOYSA-N
XLogP3.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.61
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methyl-N-(2-methylphenyl)pyridine-4-carboxamide
CID 113378981
N-(2-chloro-4-iodophenyl)-4-methoxybenzamide
CID 1370705
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
2-amino-5-chloro-N-(2-chloro-4-iodophenyl)pyridine-4-carboxamide
CID 107606018
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
CID 107370448
5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 107606074
4-amino-N-(2-chloro-4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 107605093
2-amino-6-chloro-N-(3-iodophenyl)pyridine-4-carboxamide
CID 62154226
1-amino-3-(2-chloro-4-iodophenyl)urea
CID 107605938
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide
CID 107593919

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide (CID 107606088) is 2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(I)cc2Cl)cc(N)n1.
What is the InChIKey of 2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide?
The InChIKey is VOYSKYJFFJSWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClIN3O/c1-7-4-8(5-12(16)17-7)13(19)18-11-3-2-9(15)6-10(11)14/h2-6H,1H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide?
2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide has a molecular weight of 387.61 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 107606088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).