4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C24H26IN5O4 — CID 89346413

IUPAC4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)c(CI)cc3OCCN)cc2)ccn1
InChIInChI=1S/C24H26IN5O4/c1-15-11-20(22(33-10-8-26)12-16(15)14-25)30-24(32)29-17-3-5-18(6-4-17)34-19-7-9-28-21(13-19)23(31)27-2/h3-7,9,11-13H,8,10,14,26H2,1-2H3,(H,27,31)(H2,29,30,32)
InChIKeyLFEUTJLXUCDZQO-UHFFFAOYSA-N
MW575.41 g/mol
LogP4.46
Rot. Bonds9

About 4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 89346413) has the molecular formula C24H26IN5O4 and a molecular weight of 575.41 g/mol. Its IUPAC name is 4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID89346413
Molecular FormulaC24H26IN5O4
Molecular Weight575.41 g/mol
Exact Mass575.10
IUPAC Name4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)c(CI)cc3OCCN)cc2)ccn1
InChIInChI=1S/C24H26IN5O4/c1-15-11-20(22(33-10-8-26)12-16(15)14-25)30-24(32)29-17-3-5-18(6-4-17)34-19-7-9-28-21(13-19)23(31)27-2/h3-7,9,11-13H,8,10,14,26H2,1-2H3,(H,27,31)(H2,29,30,32)
InChIKeyLFEUTJLXUCDZQO-UHFFFAOYSA-N
XLogP4.46
TPSA127.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.41
LogP ≤ 54.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
4-[4-[(2-fluoro-5-iodophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743251
N-methyl-4-[4-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143505922
4-[4-(2H-benzotriazol-5-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 10318982
4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 139036241
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-[(2-fluoro-5-methylsulfonylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919764
4-[4-[[[4,5-dimethyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 118301619
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 162196336

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 89346413) is 4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)c(CI)cc3OCCN)cc2)ccn1.
What is the InChIKey of 4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is LFEUTJLXUCDZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26IN5O4/c1-15-11-20(22(33-10-8-26)12-16(15)14-25)30-24(32)29-17-3-5-18(6-4-17)34-19-7-9-28-21(13-19)23(31)27-2/h3-7,9,11-13H,8,10,14,26H2,1-2H3,(H,27,31)(H2,29,30,32).
What are the key properties of 4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 575.41 g/mol, XLogP of 4.46, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 89346413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).