N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide

C15H15IN2O2 — CID 65098554

IUPACN-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(I)cn2)c1
InChIInChI=1S/C15H15IN2O2/c1-11-3-2-4-13(9-11)20-8-7-15(19)18-14-6-5-12(16)10-17-14/h2-6,9-10H,7-8H2,1H3,(H,17,18,19)
InChIKeySRGJXPSPZWRIBJ-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.40
Rot. Bonds5

About N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide

N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide (PubChem CID 65098554) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide
PubChem CID65098554
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC NameN-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(I)cn2)c1
InChIInChI=1S/C15H15IN2O2/c1-11-3-2-4-13(9-11)20-8-7-15(19)18-14-6-5-12(16)10-17-14/h2-6,9-10H,7-8H2,1H3,(H,17,18,19)
InChIKeySRGJXPSPZWRIBJ-UHFFFAOYSA-N
XLogP3.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-iodo-2-pyridinyl)-3-phenoxypropanamide
CID 65098781
N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide
CID 107595790
3-(3-chlorophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47325752
3-(3,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47023614
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 17395169
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
N-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 808300
N-(2-bromo-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 82712318
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide
CID 115610134

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide (CID 65098554) is N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)Nc2ccc(I)cn2)c1.
What is the InChIKey of N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide?
The InChIKey is SRGJXPSPZWRIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c1-11-3-2-4-13(9-11)20-8-7-15(19)18-14-6-5-12(16)10-17-14/h2-6,9-10H,7-8H2,1H3,(H,17,18,19).
What are the key properties of N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide?
N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide has a molecular weight of 382.20 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 65098554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).