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

C9H16N2O — CID 59029739

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

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

N-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetamide (PubChem CID 59029739) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetamide
PubChem CID59029739
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetamide
SMILESCNC(=O)CC1=CCN(C)CC1
InChIInChI=1S/C9H16N2O/c1-10-9(12)7-8-3-5-11(2)6-4-8/h3H,4-7H2,1-2H3,(H,10,12)
InChIKeyIAAJUXRYNVHZMH-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-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetamide?
The IUPAC name of N-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetamide (CID 59029739) is N-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetamide.
What is the SMILES notation for N-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetamide?
The canonical SMILES for N-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetamide is CNC(=O)CC1=CCN(C)CC1.
What is the InChIKey of N-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetamide?
The InChIKey is IAAJUXRYNVHZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-10-9(12)7-8-3-5-11(2)6-4-8/h3H,4-7H2,1-2H3,(H,10,12).
What are the key properties of N-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetamide?
N-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)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-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetamide is sourced from PubChem (CID 59029739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).