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

C13H11ClIN3O — CID 62166490

IUPAC5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)Nc2ccc(I)cc2)cc1Cl
InChIInChI=1S/C13H11ClIN3O/c1-16-12-11(14)6-8(7-17-12)13(19)18-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyNVWDJBDJOCBWGV-UHFFFAOYSA-N
MW387.61 g/mol
LogP3.63
Rot. Bonds3

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

5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide (PubChem CID 62166490) has the molecular formula C13H11ClIN3O and a molecular weight of 387.61 g/mol. Its IUPAC name is 5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
PubChem CID62166490
Molecular FormulaC13H11ClIN3O
Molecular Weight387.61 g/mol
Exact Mass386.96
IUPAC Name5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)Nc2ccc(I)cc2)cc1Cl
InChIInChI=1S/C13H11ClIN3O/c1-16-12-11(14)6-8(7-17-12)13(19)18-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyNVWDJBDJOCBWGV-UHFFFAOYSA-N
XLogP3.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.61
LogP ≤ 53.63
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-(4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167429
5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 107606074
5-chloro-N-(3,5-dichlorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62172945
5-chloro-N-(4-chloro-3-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62176655
5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 62172922
5-chloro-N-(2-chloro-4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62166998
N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62909137
5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172629
5-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62165739
5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 107595440
5-chloro-N-(4-methoxy-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62872107
4-amino-3,5-dichloro-N-(4-iodophenyl)benzamide
CID 82833125

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide (CID 62166490) is 5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)Nc2ccc(I)cc2)cc1Cl.
What is the InChIKey of 5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is NVWDJBDJOCBWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClIN3O/c1-16-12-11(14)6-8(7-17-12)13(19)18-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide?
5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 387.61 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62166490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).