3,5-dimethyl-N-pyridin-4-ylbenzamide

C14H14N2O — CID 912558

IUPAC3,5-dimethyl-N-pyridin-4-ylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C14H14N2O/c1-10-7-11(2)9-12(8-10)14(17)16-13-3-5-15-6-4-13/h3-9H,1-2H3,(H,15,16,17)
InChIKeyCCNFPVJFSPDTGE-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.95
Rot. Bonds2

About 3,5-dimethyl-N-pyridin-4-ylbenzamide

3,5-dimethyl-N-pyridin-4-ylbenzamide (PubChem CID 912558) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3,5-dimethyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-pyridin-4-ylbenzamide
PubChem CID912558
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3,5-dimethyl-N-pyridin-4-ylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C14H14N2O/c1-10-7-11(2)9-12(8-10)14(17)16-13-3-5-15-6-4-13/h3-9H,1-2H3,(H,15,16,17)
InChIKeyCCNFPVJFSPDTGE-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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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 3,5-dimethyl-N-pyridin-4-ylbenzamide (CID 912558) is 3,5-dimethyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3,5-dimethyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3,5-dimethyl-N-pyridin-4-ylbenzamide is Cc1cc(C)cc(C(=O)Nc2ccncc2)c1.
What is the InChIKey of 3,5-dimethyl-N-pyridin-4-ylbenzamide?
The InChIKey is CCNFPVJFSPDTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-7-11(2)9-12(8-10)14(17)16-13-3-5-15-6-4-13/h3-9H,1-2H3,(H,15,16,17).
What are the key properties of 3,5-dimethyl-N-pyridin-4-ylbenzamide?
3,5-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 3,5-dimethyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 912558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).