4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide

C21H21N3O3 — CID 46230040

IUPAC4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide
SMILESCOCCOc1cccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)c1
InChIInChI=1S/C21H21N3O3/c1-26-9-10-27-18-4-2-3-16(11-18)17-12-19(20(22)24-13-17)14-5-7-15(8-6-14)21(23)25/h2-8,11-13H,9-10H2,1H3,(H2,22,24)(H2,23,25)
InChIKeyWIJGRSUJTVWSLD-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.12
Rot. Bonds7

About 4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide

4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide (PubChem CID 46230040) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide
PubChem CID46230040
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide
SMILESCOCCOc1cccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)c1
InChIInChI=1S/C21H21N3O3/c1-26-9-10-27-18-4-2-3-16(11-18)17-12-19(20(22)24-13-17)14-5-7-15(8-6-14)21(23)25/h2-8,11-13H,9-10H2,1H3,(H2,22,24)(H2,23,25)
InChIKeyWIJGRSUJTVWSLD-UHFFFAOYSA-N
XLogP3.12
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide 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

4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzamide
CID 53312066
4-[2-Amino-5-(4-hydroxy-3-methoxyphenyl)pyridin-3-yl]benzamide
CID 44520782
N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
CID 121363591
4-[4-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid
CID 24895261
[4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 53311068
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzamide
CID 53312149
[4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]phenyl]-morpholino-methanone
CID 53312150
4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]benzamide
CID 53312151
4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]benzoic acid
CID 53312152
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(3-hydroxypropyl)benzamide
CID 53312232
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 53312321
4-[2-Amino-5-(1,3-benzodioxol-4-yl)pyridin-3-yl]benzamide
CID 44520783

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide?
The IUPAC name of 4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide (CID 46230040) is 4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide?
The canonical SMILES for 4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide is COCCOc1cccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)c1.
What is the InChIKey of 4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide?
The InChIKey is WIJGRSUJTVWSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-9-10-27-18-4-2-3-16(11-18)17-12-19(20(22)24-13-17)14-5-7-15(8-6-14)21(23)25/h2-8,11-13H,9-10H2,1H3,(H2,22,24)(H2,23,25).
What are the key properties of 4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide?
4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 46230040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).