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

C15H15ClIN3O — CID 62167329

IUPAC3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)Nc2ccccc2I)n1
InChIInChI=1S/C15H15ClIN3O/c1-2-9-18-13-8-7-10(16)14(20-13)15(21)19-12-6-4-3-5-11(12)17/h3-8H,2,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyZGXJMPGDZWTVEC-UHFFFAOYSA-N
MW415.66 g/mol
LogP4.41
Rot. Bonds5

About 3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide

3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 62167329) has the molecular formula C15H15ClIN3O and a molecular weight of 415.66 g/mol. Its IUPAC name is 3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID62167329
Molecular FormulaC15H15ClIN3O
Molecular Weight415.66 g/mol
Exact Mass414.99
IUPAC Name3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)Nc2ccccc2I)n1
InChIInChI=1S/C15H15ClIN3O/c1-2-9-18-13-8-7-10(16)14(20-13)15(21)19-12-6-4-3-5-11(12)17/h3-8H,2,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyZGXJMPGDZWTVEC-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

3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide
CID 62167177
N-(2-bromophenyl)-3-chloro-6-(propylamino)pyridine-2-carboxamide
CID 62165496
N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167021
3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914367
3-chloro-N-(4-chloro-2-iodophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 107631458
3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891
N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166866
3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 116788007
3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 62168552
3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide
CID 62171311
N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide
CID 62179315
3-chloro-N-(2-methylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 62691457

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide (CID 62167329) is 3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(Cl)c(C(=O)Nc2ccccc2I)n1.
What is the InChIKey of 3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is ZGXJMPGDZWTVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClIN3O/c1-2-9-18-13-8-7-10(16)14(20-13)15(21)19-12-6-4-3-5-11(12)17/h3-8H,2,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide?
3-chloro-N-(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 3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62167329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).