N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide

C9H16N2O — CID 573084

IUPACN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide
SMILESCC(=O)NCC1=CCN(C)CC1
InChIInChI=1S/C9H16N2O/c1-8(12)10-7-9-3-5-11(2)6-4-9/h3H,4-7H2,1-2H3,(H,10,12)
InChIKeyQNTPORJYXBSLLI-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.38
Rot. Bonds2

About N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide

N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide (PubChem CID 573084) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide
PubChem CID573084
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide
SMILESCC(=O)NCC1=CCN(C)CC1
InChIInChI=1S/C9H16N2O/c1-8(12)10-7-9-3-5-11(2)6-4-9/h3H,4-7H2,1-2H3,(H,10,12)
InChIKeyQNTPORJYXBSLLI-UHFFFAOYSA-N
XLogP0.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide?
The IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide (CID 573084) is N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide?
The canonical SMILES for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide is CC(=O)NCC1=CCN(C)CC1.
What is the InChIKey of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide?
The InChIKey is QNTPORJYXBSLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(12)10-7-9-3-5-11(2)6-4-9/h3H,4-7H2,1-2H3,(H,10,12).
What are the key properties of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide?
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide has a molecular weight of 168.24 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide is sourced from PubChem (CID 573084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).