2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide

C15H16N2O — CID 925512

IUPAC2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccc(C)c(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C15H16N2O/c1-11-3-4-12(2)14(9-11)15(18)17-10-13-5-7-16-8-6-13/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyMGEWGUNUGBAWRU-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.63
Rot. Bonds3

About 2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide

2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 925512) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID925512
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccc(C)c(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C15H16N2O/c1-11-3-4-12(2)14(9-11)15(18)17-10-13-5-7-16-8-6-13/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyMGEWGUNUGBAWRU-UHFFFAOYSA-N
XLogP2.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide (CID 925512) is 2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide is Cc1ccc(C)c(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is MGEWGUNUGBAWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-3-4-12(2)14(9-11)15(18)17-10-13-5-7-16-8-6-13/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide?
2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 240.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 925512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).