N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide

C9H14N2O — CID 154657038

IUPACN-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide
SMILESCC(=O)NCC1=CCCC(C)=N1
InChIInChI=1S/C9H14N2O/c1-7-4-3-5-9(11-7)6-10-8(2)12/h5H,3-4,6H2,1-2H3,(H,10,12)
InChIKeyPFLYHUBYMIWCGA-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.26
Rot. Bonds2

About N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide

N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide (PubChem CID 154657038) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide
PubChem CID154657038
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide
SMILESCC(=O)NCC1=CCCC(C)=N1
InChIInChI=1S/C9H14N2O/c1-7-4-3-5-9(11-7)6-10-8(2)12/h5H,3-4,6H2,1-2H3,(H,10,12)
InChIKeyPFLYHUBYMIWCGA-UHFFFAOYSA-N
XLogP1.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide 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-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide?
The IUPAC name of N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide (CID 154657038) is N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide?
The canonical SMILES for N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide is CC(=O)NCC1=CCCC(C)=N1.
What is the InChIKey of N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide?
The InChIKey is PFLYHUBYMIWCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-4-3-5-9(11-7)6-10-8(2)12/h5H,3-4,6H2,1-2H3,(H,10,12).
What are the key properties of N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide?
N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide has a molecular weight of 166.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide is sourced from PubChem (CID 154657038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).