2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride

C13H15Cl3N2O2 — CID 175760684

IUPAC2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride
SMILESCOc1ccccc1C(=O)Nc1ccccn1.Cl.Cl.Cl
InChIInChI=1S/C13H12N2O2.3ClH/c1-17-11-7-3-2-6-10(11)13(16)15-12-8-4-5-9-14-12;;;/h2-9H,1H3,(H,14,15,16);3*1H
InChIKeyBQZGKCUIPBMAJP-UHFFFAOYSA-N
MW337.63 g/mol
LogP3.61
Rot. Bonds3

About 2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride

2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride (PubChem CID 175760684) has the molecular formula C13H15Cl3N2O2 and a molecular weight of 337.63 g/mol. Its IUPAC name is 2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride.

Molecular Properties

Compound Name2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride
PubChem CID175760684
Molecular FormulaC13H15Cl3N2O2
Molecular Weight337.63 g/mol
Exact Mass336.02
IUPAC Name2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride
SMILESCOc1ccccc1C(=O)Nc1ccccn1.Cl.Cl.Cl
InChIInChI=1S/C13H12N2O2.3ClH/c1-17-11-7-3-2-6-10(11)13(16)15-12-8-4-5-9-14-12;;;/h2-9H,1H3,(H,14,15,16);3*1H
InChIKeyBQZGKCUIPBMAJP-UHFFFAOYSA-N
XLogP3.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.63
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4-trimethoxy-N-pyridin-2-ylbenzamide
CID 17399517
2-methoxy-4,5-dimethyl-N-pyridin-2-ylbenzamide
CID 110761563
2-[(2-ethoxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 90010791
5-chloro-2-methoxy-4-methyl-N-pyridin-2-ylbenzamide
CID 110762069
4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide
CID 110465014
3-hydroxy-4-methoxy-N-pyridin-2-ylpyridine-2-carboxamide
CID 21088884
3-[(2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 104740315
4-methoxy-3-methyl-N-pyridin-2-ylbenzamide
CID 110761052
N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113014776
2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide
CID 52668970
N-[5-(dimethylsulfamoyl)-2-pyridinyl]-2-methoxybenzamide
CID 71689972
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 35034064

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride?
The IUPAC name of 2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride (CID 175760684) is 2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride.
What is the SMILES notation for 2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride?
The canonical SMILES for 2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride is COc1ccccc1C(=O)Nc1ccccn1.Cl.Cl.Cl.
What is the InChIKey of 2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride?
The InChIKey is BQZGKCUIPBMAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2.3ClH/c1-17-11-7-3-2-6-10(11)13(16)15-12-8-4-5-9-14-12;;;/h2-9H,1H3,(H,14,15,16);3*1H.
What are the key properties of 2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride?
2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride has a molecular weight of 337.63 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride is sourced from PubChem (CID 175760684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).