N-(5-methyl-2-pyridinyl)-4-phenylbutanamide

C16H18N2O — CID 838086

IUPACN-(5-methyl-2-pyridinyl)-4-phenylbutanamide
SMILESCc1ccc(NC(=O)CCCc2ccccc2)nc1
InChIInChI=1S/C16H18N2O/c1-13-10-11-15(17-12-13)18-16(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,17,18,19)
InChIKeyDJTDUNXPQVVCBG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.35
Rot. Bonds5

About N-(5-methyl-2-pyridinyl)-4-phenylbutanamide

N-(5-methyl-2-pyridinyl)-4-phenylbutanamide (PubChem CID 838086) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-phenylbutanamide
PubChem CID838086
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(5-methyl-2-pyridinyl)-4-phenylbutanamide
SMILESCc1ccc(NC(=O)CCCc2ccccc2)nc1
InChIInChI=1S/C16H18N2O/c1-13-10-11-15(17-12-13)18-16(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,17,18,19)
InChIKeyDJTDUNXPQVVCBG-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-methyl-2-pyridinyl)-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-phenylbutanamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-phenylbutanamide (CID 838086) is N-(5-methyl-2-pyridinyl)-4-phenylbutanamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-phenylbutanamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-phenylbutanamide is Cc1ccc(NC(=O)CCCc2ccccc2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-phenylbutanamide?
The InChIKey is DJTDUNXPQVVCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13-10-11-15(17-12-13)18-16(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,17,18,19).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-phenylbutanamide?
N-(5-methyl-2-pyridinyl)-4-phenylbutanamide has a molecular weight of 254.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-4-phenylbutanamide is sourced from PubChem (CID 838086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).