2,3-dimethyl-N-pyridin-4-ylbenzamide

C14H14N2O — CID 27700072

IUPAC2,3-dimethyl-N-pyridin-4-ylbenzamide
SMILESCc1cccc(C(=O)Nc2ccncc2)c1C
InChIInChI=1S/C14H14N2O/c1-10-4-3-5-13(11(10)2)14(17)16-12-6-8-15-9-7-12/h3-9H,1-2H3,(H,15,16,17)
InChIKeyFRXWSPBWQXAZHM-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.95
Rot. Bonds2

About 2,3-dimethyl-N-pyridin-4-ylbenzamide

2,3-dimethyl-N-pyridin-4-ylbenzamide (PubChem CID 27700072) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,3-dimethyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-pyridin-4-ylbenzamide
PubChem CID27700072
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2,3-dimethyl-N-pyridin-4-ylbenzamide
SMILESCc1cccc(C(=O)Nc2ccncc2)c1C
InChIInChI=1S/C14H14N2O/c1-10-4-3-5-13(11(10)2)14(17)16-12-6-8-15-9-7-12/h3-9H,1-2H3,(H,15,16,17)
InChIKeyFRXWSPBWQXAZHM-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-methyl-N-pyridin-4-ylbenzamide
CID 103852962
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
N-(3-aminophenyl)-2,3-dimethylbenzamide
CID 16789314
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide
CID 61222500
2,3-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 2814172
2-chloro-6-methyl-N-pyridin-4-ylbenzamide
CID 59618146
N-[4-(2-chloroethyl)phenyl]-2,3-dimethylbenzamide
CID 114299174
N-(4-amino-3-chlorophenyl)-2,3-dimethylbenzamide
CID 82861424
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
N-(4-acetamidophenyl)-3-hydroxy-2-methylbenzamide
CID 82781425

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 2,3-dimethyl-N-pyridin-4-ylbenzamide (CID 27700072) is 2,3-dimethyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2,3-dimethyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2,3-dimethyl-N-pyridin-4-ylbenzamide is Cc1cccc(C(=O)Nc2ccncc2)c1C.
What is the InChIKey of 2,3-dimethyl-N-pyridin-4-ylbenzamide?
The InChIKey is FRXWSPBWQXAZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-4-3-5-13(11(10)2)14(17)16-12-6-8-15-9-7-12/h3-9H,1-2H3,(H,15,16,17).
What are the key properties of 2,3-dimethyl-N-pyridin-4-ylbenzamide?
2,3-dimethyl-N-pyridin-4-ylbenzamide has a molecular weight of 226.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 27700072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).