2-methyl-N-(pyridin-4-ylmethyl)benzamide

C14H14N2O — CID 655519

IUPAC2-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccccc1C(=O)NCc1ccncc1
InChIInChI=1S/C14H14N2O/c1-11-4-2-3-5-13(11)14(17)16-10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyMDZCCUAYVWYPBG-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.32
Rot. Bonds3

About 2-methyl-N-(pyridin-4-ylmethyl)benzamide

2-methyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 655519) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID655519
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccccc1C(=O)NCc1ccncc1
InChIInChI=1S/C14H14N2O/c1-11-4-2-3-5-13(11)14(17)16-10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyMDZCCUAYVWYPBG-UHFFFAOYSA-N
XLogP2.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-methyl-N-(pyridin-4-ylmethyl)benzamide (CID 655519) is 2-methyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-methyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-methyl-N-(pyridin-4-ylmethyl)benzamide is Cc1ccccc1C(=O)NCc1ccncc1.
What is the InChIKey of 2-methyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is MDZCCUAYVWYPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11-4-2-3-5-13(11)14(17)16-10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-methyl-N-(pyridin-4-ylmethyl)benzamide?
2-methyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 226.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 655519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).