5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide

C15H17N3O2 — CID 61104069

IUPAC5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
SMILESCOc1ccc(N)cc1C(=O)NCCc1ccncc1
InChIInChI=1S/C15H17N3O2/c1-20-14-3-2-12(16)10-13(14)15(19)18-9-6-11-4-7-17-8-5-11/h2-5,7-8,10H,6,9,16H2,1H3,(H,18,19)
InChIKeyNWOFTNUYKDKWIE-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.64
Rot. Bonds5

About 5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide

5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 61104069) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID61104069
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
SMILESCOc1ccc(N)cc1C(=O)NCCc1ccncc1
InChIInChI=1S/C15H17N3O2/c1-20-14-3-2-12(16)10-13(14)15(19)18-9-6-11-4-7-17-8-5-11/h2-5,7-8,10H,6,9,16H2,1H3,(H,18,19)
InChIKeyNWOFTNUYKDKWIE-UHFFFAOYSA-N
XLogP1.64
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)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

5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004068
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63832003
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
CID 104932681
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106289101
5-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62634324
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide (CID 61104069) is 5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide is COc1ccc(N)cc1C(=O)NCCc1ccncc1.
What is the InChIKey of 5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is NWOFTNUYKDKWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14-3-2-12(16)10-13(14)15(19)18-9-6-11-4-7-17-8-5-11/h2-5,7-8,10H,6,9,16H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide?
5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 61104069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).