N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide

C15H15ClIN3O — CID 107606051

IUPACN-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C15H15ClIN3O/c1-2-6-19-13-5-7-18-9-11(13)15(21)20-14-4-3-10(17)8-12(14)16/h3-5,7-9H,2,6H2,1H3,(H,18,19)(H,20,21)
InChIKeyRMZUXWJVGBLWDJ-UHFFFAOYSA-N
MW415.66 g/mol
LogP4.41
Rot. Bonds5

About N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide

N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide (PubChem CID 107606051) has the molecular formula C15H15ClIN3O and a molecular weight of 415.66 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide
PubChem CID107606051
Molecular FormulaC15H15ClIN3O
Molecular Weight415.66 g/mol
Exact Mass414.99
IUPAC NameN-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C15H15ClIN3O/c1-2-6-19-13-5-7-18-9-11(13)15(21)20-14-4-3-10(17)8-12(14)16/h3-5,7-9H,2,6H2,1H3,(H,18,19)(H,20,21)
InChIKeyRMZUXWJVGBLWDJ-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-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237149
N-(2,5-dichlorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237097
N-(2-methyl-4-pyridinyl)-4-(propylamino)pyridine-3-carboxamide
CID 81245840
N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 107370476
N-(4,6-dimethylpyrimidin-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81239346
N-(2-chloro-4-iodophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 107606116
N-(5-methyl-3-pyridinyl)-4-(propylamino)pyridine-3-carboxamide
CID 107586622
4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 81244963
5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
CID 63499868
N-(6-methyl-2-pyridinyl)-4-(propylamino)pyridine-3-carboxamide
CID 81235208
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 114924258

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide (CID 107606051) is N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is RMZUXWJVGBLWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClIN3O/c1-2-6-19-13-5-7-18-9-11(13)15(21)20-14-4-3-10(17)8-12(14)16/h3-5,7-9H,2,6H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide?
N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-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-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 107606051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).