N-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide

C26H24N4O4S — CID 166039881

IUPACN-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide
SMILESCC(Oc1cc(-c2cccnc2)cnc1N)c1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C26H24N4O4S/c1-17(34-24-14-21(16-29-25(24)27)20-8-5-11-28-15-20)18-6-3-9-22(12-18)30-26(31)19-7-4-10-23(13-19)35(2,32)33/h3-17H,1-2H3,(H2,27,29)(H,30,31)
InChIKeyPMAHZVAGXZQERH-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.52
Rot. Bonds7

About N-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide

N-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide (PubChem CID 166039881) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide
PubChem CID166039881
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC NameN-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide
SMILESCC(Oc1cc(-c2cccnc2)cnc1N)c1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C26H24N4O4S/c1-17(34-24-14-21(16-29-25(24)27)20-8-5-11-28-15-20)18-6-3-9-22(12-18)30-26(31)19-7-4-10-23(13-19)35(2,32)33/h3-17H,1-2H3,(H2,27,29)(H,30,31)
InChIKeyPMAHZVAGXZQERH-UHFFFAOYSA-N
XLogP4.52
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide 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-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide
CID 139489246
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]-3-methylsulfonylbenzamide
CID 166039818
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide
CID 139489368
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide
CID 139489308
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide
CID 139489207
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide
CID 139489314
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide
CID 166039897
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide
CID 139489285
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-chloro-5-methylbenzamide
CID 166039896
3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide
CID 163204610
N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide
CID 166039796
N-[3-[(1R)-1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide
CID 139507254

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide (CID 166039881) is N-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide is CC(Oc1cc(-c2cccnc2)cnc1N)c1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1.
What is the InChIKey of N-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide?
The InChIKey is PMAHZVAGXZQERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-17(34-24-14-21(16-29-25(24)27)20-8-5-11-28-15-20)18-6-3-9-22(12-18)30-26(31)19-7-4-10-23(13-19)35(2,32)33/h3-17H,1-2H3,(H2,27,29)(H,30,31).
What are the key properties of N-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide?
N-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide has a molecular weight of 488.57 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 166039881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).