2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

C16H18N2O — CID 5459548

IUPAC2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(Cc1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C16H18N2O/c1-13(11-14-5-3-2-4-6-14)16(19)18-12-15-7-9-17-10-8-15/h2-10,13H,11-12H2,1H3,(H,18,19)
InChIKeyJMWMCGRDMGWQSL-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.58
Rot. Bonds5

About 2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 5459548) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID5459548
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(Cc1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C16H18N2O/c1-13(11-14-5-3-2-4-6-14)16(19)18-12-15-7-9-17-10-8-15/h2-10,13H,11-12H2,1H3,(H,18,19)
InChIKeyJMWMCGRDMGWQSL-UHFFFAOYSA-N
XLogP2.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (CID 5459548) is 2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is CC(Cc1ccccc1)C(=O)NCc1ccncc1.
What is the InChIKey of 2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is JMWMCGRDMGWQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13(11-14-5-3-2-4-6-14)16(19)18-12-15-7-9-17-10-8-15/h2-10,13H,11-12H2,1H3,(H,18,19).
What are the key properties of 2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 254.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 5459548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).