N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide

C16H18N2O — CID 47038622

IUPACN-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
SMILESCc1ccc(CNC(=O)CCc2ccccc2)cn1
InChIInChI=1S/C16H18N2O/c1-13-7-8-15(11-17-13)12-18-16(19)10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,18,19)
InChIKeyXGTLEOPAAGWYQP-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.64
Rot. Bonds5

About N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide

N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide (PubChem CID 47038622) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
PubChem CID47038622
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
SMILESCc1ccc(CNC(=O)CCc2ccccc2)cn1
InChIInChI=1S/C16H18N2O/c1-13-7-8-15(11-17-13)12-18-16(19)10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,18,19)
InChIKeyXGTLEOPAAGWYQP-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 62995351
5-[(6-methyl-3-pyridinyl)methylamino]-5-oxopentanoic acid
CID 62996023
2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 47043979
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-phenylpropanamide
CID 90579351
N-[[4-(bromomethyl)phenyl]methyl]-3-phenylpropanamide
CID 107233854
N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide
CID 62997361
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-phenylpropanamide
CID 55710399
2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide
CID 62073740
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide
CID 62995149
N-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide
CID 46956968
N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide
CID 131936779
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide (CID 47038622) is N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide is Cc1ccc(CNC(=O)CCc2ccccc2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide?
The InChIKey is XGTLEOPAAGWYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13-7-8-15(11-17-13)12-18-16(19)10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,18,19).
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide?
N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide has a molecular weight of 254.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 47038622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).