N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide

C13H12IN3O2 — CID 90427638

IUPACN-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc(I)cc2C)ccn1
InChIInChI=1S/C13H12IN3O2/c1-8-5-12(14)16-7-11(8)19-10-3-4-15-13(6-10)17-9(2)18/h3-7H,1-2H3,(H,15,17,18)
InChIKeyCBRUVYZILHCYKM-UHFFFAOYSA-N
MW369.16 g/mol
LogP3.14
Rot. Bonds3

About N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide

N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide (PubChem CID 90427638) has the molecular formula C13H12IN3O2 and a molecular weight of 369.16 g/mol. Its IUPAC name is N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide
PubChem CID90427638
Molecular FormulaC13H12IN3O2
Molecular Weight369.16 g/mol
Exact Mass369.00
IUPAC NameN-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc(I)cc2C)ccn1
InChIInChI=1S/C13H12IN3O2/c1-8-5-12(14)16-7-11(8)19-10-3-4-15-13(6-10)17-9(2)18/h3-7H,1-2H3,(H,15,17,18)
InChIKeyCBRUVYZILHCYKM-UHFFFAOYSA-N
XLogP3.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 138528462
N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 129225585
N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 69004947
N-[4-(3-fluorophenoxy)-2-pyridinyl]acetamide
CID 141205782
N-[[5-[(2-acetamido-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]carbamoyl]-2-methoxy-2-methylpropanamide
CID 86272976
1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea
CID 155512123
N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 90426519
methyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate
CID 168880203
1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea
CID 164899632
2-methoxy-2-methyl-N-[(4-methyl-5-pyridin-4-yloxy-2-pyridinyl)carbamoyl]propanamide
CID 123633859
N-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide
CID 123772910
4-(4-fluoro-2-methylphenoxy)-N-methylpyridin-2-amine
CID 113368178

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide (CID 90427638) is N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc(I)cc2C)ccn1.
What is the InChIKey of N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide?
The InChIKey is CBRUVYZILHCYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3O2/c1-8-5-12(14)16-7-11(8)19-10-3-4-15-13(6-10)17-9(2)18/h3-7H,1-2H3,(H,15,17,18).
What are the key properties of N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide?
N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide has a molecular weight of 369.16 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 90427638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).