N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide

C18H24N2O2 — CID 166113297

IUPACN-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)c1ccc(C2=CCN(C)CC2)cc1
InChIInChI=1S/C18H24N2O2/c1-19-18(22)8-7-17(13-21)15-5-3-14(4-6-15)16-9-11-20(2)12-10-16/h3-6,9,13,17H,7-8,10-12H2,1-2H3,(H,19,22)
InChIKeyPZOFJROWJXJSAC-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.21
Rot. Bonds6

About N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide

N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide (PubChem CID 166113297) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide.

Molecular Properties

Compound NameN-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide
PubChem CID166113297
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)c1ccc(C2=CCN(C)CC2)cc1
InChIInChI=1S/C18H24N2O2/c1-19-18(22)8-7-17(13-21)15-5-3-14(4-6-15)16-9-11-20(2)12-10-16/h3-6,9,13,17H,7-8,10-12H2,1-2H3,(H,19,22)
InChIKeyPZOFJROWJXJSAC-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide?
The IUPAC name of N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide (CID 166113297) is N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide.
What is the SMILES notation for N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide?
The canonical SMILES for N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide is CNC(=O)CCC(C=O)c1ccc(C2=CCN(C)CC2)cc1.
What is the InChIKey of N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide?
The InChIKey is PZOFJROWJXJSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-19-18(22)8-7-17(13-21)15-5-3-14(4-6-15)16-9-11-20(2)12-10-16/h3-6,9,13,17H,7-8,10-12H2,1-2H3,(H,19,22).
What are the key properties of N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide?
N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide has a molecular weight of 300.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide is sourced from PubChem (CID 166113297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).