N-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide

C19H16IN5O2 — CID 67228272

IUPACN-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide
SMILESN#Cc1ccc(OCC(Cc2ncc[nH]2)NC(=O)c2ccc(I)cc2)nc1
InChIInChI=1S/C19H16IN5O2/c20-15-4-2-14(3-5-15)19(26)25-16(9-17-22-7-8-23-17)12-27-18-6-1-13(10-21)11-24-18/h1-8,11,16H,9,12H2,(H,22,23)(H,25,26)
InChIKeyPGELGWPZQVECHN-UHFFFAOYSA-N
MW473.27 g/mol
LogP2.70
Rot. Bonds7

About N-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide

N-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide (PubChem CID 67228272) has the molecular formula C19H16IN5O2 and a molecular weight of 473.27 g/mol. Its IUPAC name is N-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide
PubChem CID67228272
Molecular FormulaC19H16IN5O2
Molecular Weight473.27 g/mol
Exact Mass473.03
IUPAC NameN-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide
SMILESN#Cc1ccc(OCC(Cc2ncc[nH]2)NC(=O)c2ccc(I)cc2)nc1
InChIInChI=1S/C19H16IN5O2/c20-15-4-2-14(3-5-15)19(26)25-16(9-17-22-7-8-23-17)12-27-18-6-1-13(10-21)11-24-18/h1-8,11,16H,9,12H2,(H,22,23)(H,25,26)
InChIKeyPGELGWPZQVECHN-UHFFFAOYSA-N
XLogP2.70
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide?
The IUPAC name of N-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide (CID 67228272) is N-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide.
What is the SMILES notation for N-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide?
The canonical SMILES for N-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide is N#Cc1ccc(OCC(Cc2ncc[nH]2)NC(=O)c2ccc(I)cc2)nc1.
What is the InChIKey of N-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide?
The InChIKey is PGELGWPZQVECHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16IN5O2/c20-15-4-2-14(3-5-15)19(26)25-16(9-17-22-7-8-23-17)12-27-18-6-1-13(10-21)11-24-18/h1-8,11,16H,9,12H2,(H,22,23)(H,25,26).
What are the key properties of N-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide?
N-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide has a molecular weight of 473.27 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-cyano-2-pyridinyl)oxy]-3-(1H-imidazol-2-yl)propan-2-yl]-4-iodobenzamide is sourced from PubChem (CID 67228272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).