(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone

C13H12N2O2 — CID 118853196

IUPAC(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone
SMILESCOc1c(N)cccc1C(=O)c1ccccn1
InChIInChI=1S/C13H12N2O2/c1-17-13-9(5-4-6-10(13)14)12(16)11-7-2-3-8-15-11/h2-8H,14H2,1H3
InChIKeyAUPLLOBOBPSMSP-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.90
Rot. Bonds3

About (3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone

(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone (PubChem CID 118853196) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone
PubChem CID118853196
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone
SMILESCOc1c(N)cccc1C(=O)c1ccccn1
InChIInChI=1S/C13H12N2O2/c1-17-13-9(5-4-6-10(13)14)12(16)11-7-2-3-8-15-11/h2-8H,14H2,1H3
InChIKeyAUPLLOBOBPSMSP-UHFFFAOYSA-N
XLogP1.90
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone 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

(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
(2-amino-3-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118841909
3-amino-2-methoxybenzoic acid
CID 19849158
(2-amino-6-chlorophenyl)-pyridin-2-ylmethanone
CID 118847428
3-amino-2-methoxybenzoic acid;hydrochloride
CID 163206997
[2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone
CID 118836198
(2-amino-5-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118808080
3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one
CID 21293540
(3-bromo-2-methylphenyl)-pyridin-2-ylmethanone
CID 118836322
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
[2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118808095
[3-chloro-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847905

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone?
The IUPAC name of (3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone (CID 118853196) is (3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone?
The canonical SMILES for (3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone is COc1c(N)cccc1C(=O)c1ccccn1.
What is the InChIKey of (3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone?
The InChIKey is AUPLLOBOBPSMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-13-9(5-4-6-10(13)14)12(16)11-7-2-3-8-15-11/h2-8H,14H2,1H3.
What are the key properties of (3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone?
(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone has a molecular weight of 228.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 118853196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).