N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

C17H19IN4O — CID 155945840

IUPACN-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2cccc(C(=O)Nc3ccc(I)cc3)n2)CC1
InChIInChI=1S/C17H19IN4O/c1-21-9-11-22(12-10-21)16-4-2-3-15(20-16)17(23)19-14-7-5-13(18)6-8-14/h2-8H,9-12H2,1H3,(H,19,23)
InChIKeyXKSBUUYHSVIYFR-UHFFFAOYSA-N
MW422.27 g/mol
LogP2.69
Rot. Bonds3

About N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 155945840) has the molecular formula C17H19IN4O and a molecular weight of 422.27 g/mol. Its IUPAC name is N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID155945840
Molecular FormulaC17H19IN4O
Molecular Weight422.27 g/mol
Exact Mass422.06
IUPAC NameN-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2cccc(C(=O)Nc3ccc(I)cc3)n2)CC1
InChIInChI=1S/C17H19IN4O/c1-21-9-11-22(12-10-21)16-4-2-3-15(20-16)17(23)19-14-7-5-13(18)6-8-14/h2-8H,9-12H2,1H3,(H,19,23)
InChIKeyXKSBUUYHSVIYFR-UHFFFAOYSA-N
XLogP2.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574044
N-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574184
N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
N-(4-methylphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573865
N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573565
N-(4-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31777667
N-(2-hydroxypropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575059
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094899
N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573584
N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 117079357
2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide
CID 109094346
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574054

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 155945840) is N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is CN1CCN(c2cccc(C(=O)Nc3ccc(I)cc3)n2)CC1.
What is the InChIKey of N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is XKSBUUYHSVIYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN4O/c1-21-9-11-22(12-10-21)16-4-2-3-15(20-16)17(23)19-14-7-5-13(18)6-8-14/h2-8H,9-12H2,1H3,(H,19,23).
What are the key properties of N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 422.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 155945840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).