N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide

C14H12IN3O2 — CID 47224625

IUPACN'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H12IN3O2/c15-11-1-3-12(4-2-11)18-14(20)13(19)17-9-10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyAWXIZCFPKHVDGY-UHFFFAOYSA-N
MW381.17 g/mol
LogP1.94
Rot. Bonds3

About N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide

N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 47224625) has the molecular formula C14H12IN3O2 and a molecular weight of 381.17 g/mol. Its IUPAC name is N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID47224625
Molecular FormulaC14H12IN3O2
Molecular Weight381.17 g/mol
Exact Mass381.00
IUPAC NameN'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H12IN3O2/c15-11-1-3-12(4-2-11)18-14(20)13(19)17-9-10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyAWXIZCFPKHVDGY-UHFFFAOYSA-N
XLogP1.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 7584760
N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108985107
N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide
CID 47634027
N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518293
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
1-(pyridin-4-ylmethyl)-3-(4-sulfanylphenyl)urea
CID 135231096
N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 3838884
N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide
CID 86995360
N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947860
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 108875244
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675

Frequently Asked Questions

What is the IUPAC name of N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide (CID 47224625) is N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide is O=C(NCc1ccncc1)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is AWXIZCFPKHVDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3O2/c15-11-1-3-12(4-2-11)18-14(20)13(19)17-9-10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)(H,18,20).
What are the key properties of N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide?
N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 381.17 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 47224625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).