N-(2,3-dihydropyridin-6-ylmethyl)acetamide

C8H12N2O — CID 143023357

IUPACN-(2,3-dihydropyridin-6-ylmethyl)acetamide
SMILESCC(=O)NCC1=NCCC=C1
InChIInChI=1S/C8H12N2O/c1-7(11)10-6-8-4-2-3-5-9-8/h2,4H,3,5-6H2,1H3,(H,10,11)
InChIKeyRKBVDNQCKNEILO-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.52
Rot. Bonds2

About N-(2,3-dihydropyridin-6-ylmethyl)acetamide

N-(2,3-dihydropyridin-6-ylmethyl)acetamide (PubChem CID 143023357) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-(2,3-dihydropyridin-6-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydropyridin-6-ylmethyl)acetamide
PubChem CID143023357
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-(2,3-dihydropyridin-6-ylmethyl)acetamide
SMILESCC(=O)NCC1=NCCC=C1
InChIInChI=1S/C8H12N2O/c1-7(11)10-6-8-4-2-3-5-9-8/h2,4H,3,5-6H2,1H3,(H,10,11)
InChIKeyRKBVDNQCKNEILO-UHFFFAOYSA-N
XLogP0.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydropyridin-6-ylmethyl)acetamide 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

N-[(E)-5,5-difluoro-2-methyl-4-methyliminopent-2-enyl]acetamide
CID 175634588
1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide
CID 171990203
n-Propyldihydronicotinamide
CID 129632151
N,8-diethyl-1,4-diazocine-5-carboxamide
CID 77953105
N-(2,3-dihydropyridin-6-ylmethyl)pentanamide
CID 91391690
3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one
CID 91425388
N-[3-(benzimidazol-2-ylidene)propyl]acetamide
CID 91529045
6-imino-2,3-dihydro-1H-azepin-7-one
CID 123178649
N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
N,N-diethyl-2,3-dihydropyridine-6-carboxamide
CID 123947366
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
N-propan-2-yl-2H-pyrrole-5-carboxamide
CID 134452772

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydropyridin-6-ylmethyl)acetamide?
The IUPAC name of N-(2,3-dihydropyridin-6-ylmethyl)acetamide (CID 143023357) is N-(2,3-dihydropyridin-6-ylmethyl)acetamide.
What is the SMILES notation for N-(2,3-dihydropyridin-6-ylmethyl)acetamide?
The canonical SMILES for N-(2,3-dihydropyridin-6-ylmethyl)acetamide is CC(=O)NCC1=NCCC=C1.
What is the InChIKey of N-(2,3-dihydropyridin-6-ylmethyl)acetamide?
The InChIKey is RKBVDNQCKNEILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7(11)10-6-8-4-2-3-5-9-8/h2,4H,3,5-6H2,1H3,(H,10,11).
What are the key properties of N-(2,3-dihydropyridin-6-ylmethyl)acetamide?
N-(2,3-dihydropyridin-6-ylmethyl)acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydropyridin-6-ylmethyl)acetamide is sourced from PubChem (CID 143023357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).