4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide

C13H12IN3O — CID 81236350

IUPAC4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)Nc2cccc(I)c2)cn1
InChIInChI=1S/C13H12IN3O/c1-8-5-12(15)11(7-16-8)13(18)17-10-4-2-3-9(14)6-10/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyDKRPUPYAVUTLLI-UHFFFAOYSA-N
MW353.16 g/mol
LogP2.83
Rot. Bonds2

About 4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide

4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide (PubChem CID 81236350) has the molecular formula C13H12IN3O and a molecular weight of 353.16 g/mol. Its IUPAC name is 4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide
PubChem CID81236350
Molecular FormulaC13H12IN3O
Molecular Weight353.16 g/mol
Exact Mass353.00
IUPAC Name4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)Nc2cccc(I)c2)cn1
InChIInChI=1S/C13H12IN3O/c1-8-5-12(15)11(7-16-8)13(18)17-10-4-2-3-9(14)6-10/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyDKRPUPYAVUTLLI-UHFFFAOYSA-N
XLogP2.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-6-methyl-N-phenylpyridine-3-carboxamide
CID 81236063
4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 81235880
2,4-diamino-N-(3-iodophenyl)benzamide
CID 61095527
4-amino-N-(2,6-dichlorophenyl)-6-methylpyridine-3-carboxamide
CID 81245380
4-amino-N-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81239196
4-amino-N-(3-fluoro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81242532
4-amino-6-methyl-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 81237472
4-amino-N-(4-fluoro-2-iodophenyl)-6-methylpyridine-3-carboxamide
CID 81245036
4-amino-6-methyl-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81238735
4-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81242553
4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide
CID 81240870
4-amino-N,6-dimethylpyridine-3-carboxamide
CID 81236701

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide (CID 81236350) is 4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide is Cc1cc(N)c(C(=O)Nc2cccc(I)c2)cn1.
What is the InChIKey of 4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is DKRPUPYAVUTLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3O/c1-8-5-12(15)11(7-16-8)13(18)17-10-4-2-3-9(14)6-10/h2-7H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide?
4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 353.16 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81236350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).