3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide

C14H15N2O2+ — CID 4196663

IUPAC3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)NCc2ccc[nH+]c2)c1
InChIInChI=1S/C14H14N2O2/c1-18-13-6-2-5-12(8-13)14(17)16-10-11-4-3-7-15-9-11/h2-9H,10H2,1H3,(H,16,17)/p+1
InChIKeySSXFPDBNPYQTFC-UHFFFAOYSA-O
MW243.29 g/mol
LogP1.44
Rot. Bonds4

About 3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide

3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide (PubChem CID 4196663) has the molecular formula C14H15N2O2+ and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
PubChem CID4196663
Molecular FormulaC14H15N2O2+
Molecular Weight243.29 g/mol
Exact Mass243.11
IUPAC Name3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)NCc2ccc[nH+]c2)c1
InChIInChI=1S/C14H14N2O2/c1-18-13-6-2-5-12(8-13)14(17)16-10-11-4-3-7-15-9-11/h2-9H,10H2,1H3,(H,16,17)/p+1
InChIKeySSXFPDBNPYQTFC-UHFFFAOYSA-O
XLogP1.44
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-N-(pyridin-1-ium-3-ylmethyl)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

N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide
CID 110781923
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide?
The IUPAC name of 3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide (CID 4196663) is 3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide?
The canonical SMILES for 3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide is COc1cccc(C(=O)NCc2ccc[nH+]c2)c1.
What is the InChIKey of 3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide?
The InChIKey is SSXFPDBNPYQTFC-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14N2O2/c1-18-13-6-2-5-12(8-13)14(17)16-10-11-4-3-7-15-9-11/h2-9H,10H2,1H3,(H,16,17)/p+1.
What are the key properties of 3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide?
3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide has a molecular weight of 243.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide is sourced from PubChem (CID 4196663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).