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

C15H16IN3O — CID 63499138

IUPACN-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2ccc(I)cc2)n1
InChIInChI=1S/C15H16IN3O/c1-2-10-17-14-5-3-4-13(19-14)15(20)18-12-8-6-11(16)7-9-12/h3-9H,2,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyJLKUEZAGXLOZDG-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.76
Rot. Bonds5

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

N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 63499138) has the molecular formula C15H16IN3O and a molecular weight of 381.22 g/mol. Its IUPAC name is N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID63499138
Molecular FormulaC15H16IN3O
Molecular Weight381.22 g/mol
Exact Mass381.03
IUPAC NameN-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2ccc(I)cc2)n1
InChIInChI=1S/C15H16IN3O/c1-2-10-17-14-5-3-4-13(19-14)15(20)18-12-8-6-11(16)7-9-12/h3-9H,2,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyJLKUEZAGXLOZDG-UHFFFAOYSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.76
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-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240814
N-(2-fluorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239443
N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62239806
N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 107631451
N-(2,5-dichlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240936
N-(4-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31777667
N-(4,6-dimethyl-2-pyridinyl)-6-(propylamino)pyridine-2-carboxamide
CID 114933112
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
N-(2-bromo-5-chlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 81255728
N-(2-bromo-5-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 82750044
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 114389388
N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239243

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide (CID 63499138) is N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)Nc2ccc(I)cc2)n1.
What is the InChIKey of N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is JLKUEZAGXLOZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3O/c1-2-10-17-14-5-3-4-13(19-14)15(20)18-12-8-6-11(16)7-9-12/h3-9H,2,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide?
N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 381.22 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 63499138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).