3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide

C17H20N2O — CID 2993109

IUPAC3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C17H20N2O/c1-13(2)11-17(20)19-16-5-3-14(4-6-16)12-15-7-9-18-10-8-15/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKeyGZPLRDFDZXWARA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.66
Rot. Bonds5

About 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide

3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide (PubChem CID 2993109) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
PubChem CID2993109
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C17H20N2O/c1-13(2)11-17(20)19-16-5-3-14(4-6-16)12-15-7-9-18-10-8-15/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKeyGZPLRDFDZXWARA-UHFFFAOYSA-N
XLogP3.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide (CID 2993109) is 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide is CC(C)CC(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide?
The InChIKey is GZPLRDFDZXWARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(2)11-17(20)19-16-5-3-14(4-6-16)12-15-7-9-18-10-8-15/h3-10,13H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide?
3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide has a molecular weight of 268.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 2993109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).