N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide

C15H15ClIN3O — CID 107631451

IUPACN-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2ccc(Cl)cc2I)n1
InChIInChI=1S/C15H15ClIN3O/c1-2-8-18-14-5-3-4-13(19-14)15(21)20-12-7-6-10(16)9-11(12)17/h3-7,9H,2,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyIEORCIFOFQJSTC-UHFFFAOYSA-N
MW415.66 g/mol
LogP4.41
Rot. Bonds5

About N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide

N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 107631451) has the molecular formula C15H15ClIN3O and a molecular weight of 415.66 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID107631451
Molecular FormulaC15H15ClIN3O
Molecular Weight415.66 g/mol
Exact Mass414.99
IUPAC NameN-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2ccc(Cl)cc2I)n1
InChIInChI=1S/C15H15ClIN3O/c1-2-8-18-14-5-3-4-13(19-14)15(21)20-12-7-6-10(16)9-11(12)17/h3-7,9H,2,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyIEORCIFOFQJSTC-UHFFFAOYSA-N
XLogP4.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.66
LogP ≤ 54.41
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

N-(2,5-dichlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240936
N-(2-bromo-5-chlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 81255728
N-(2-fluorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239443
N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239243
N-(2-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240814
N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 63499138
N-(2-bromo-5-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 82750044
6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
CID 107631403
N-(4,6-dimethyl-2-pyridinyl)-6-(propylamino)pyridine-2-carboxamide
CID 114933112
N-(4-chloro-2-iodophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107631539
3-chloro-N-(4-chloro-2-iodophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 107631458
N-(3-chlorophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62238582

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide (CID 107631451) is N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)Nc2ccc(Cl)cc2I)n1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is IEORCIFOFQJSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClIN3O/c1-2-8-18-14-5-3-4-13(19-14)15(21)20-12-7-6-10(16)9-11(12)17/h3-7,9H,2,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide?
N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 415.66 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 107631451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).