5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide

C13H10Cl2IN3O — CID 107606074

IUPAC5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)Nc2ccc(I)cc2Cl)cc1Cl
InChIInChI=1S/C13H10Cl2IN3O/c1-17-12-10(15)4-7(6-18-12)13(20)19-11-3-2-8(16)5-9(11)14/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyQRZDXOVIMFIBPL-UHFFFAOYSA-N
MW422.05 g/mol
LogP4.29
Rot. Bonds3

About 5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide

5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide (PubChem CID 107606074) has the molecular formula C13H10Cl2IN3O and a molecular weight of 422.05 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
PubChem CID107606074
Molecular FormulaC13H10Cl2IN3O
Molecular Weight422.05 g/mol
Exact Mass420.92
IUPAC Name5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)Nc2ccc(I)cc2Cl)cc1Cl
InChIInChI=1S/C13H10Cl2IN3O/c1-17-12-10(15)4-7(6-18-12)13(20)19-11-3-2-8(16)5-9(11)14/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyQRZDXOVIMFIBPL-UHFFFAOYSA-N
XLogP4.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.05
LogP ≤ 54.29
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

5-chloro-N-(2-chloro-4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62166998
5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62166490
5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172629
N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62909137
5-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62165739
5-chloro-N-(4-methoxy-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62872107
5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 107595440
5-chloro-N-(4-fluoro-2-methoxyphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62175694
5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid
CID 107607031
5-chloro-N-(3,5-dichlorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62172945
5-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167429
N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107606098

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide (CID 107606074) is 5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)Nc2ccc(I)cc2Cl)cc1Cl.
What is the InChIKey of 5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is QRZDXOVIMFIBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2IN3O/c1-17-12-10(15)4-7(6-18-12)13(20)19-11-3-2-8(16)5-9(11)14/h2-6H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide?
5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 422.05 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 107606074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).