3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one

C19H26N2O — CID 82520754

IUPAC3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one
SMILESCCCCCn1c(-c2ccc(C)cc2)ccc(CNC)c1=O
InChIInChI=1S/C19H26N2O/c1-4-5-6-13-21-18(16-9-7-15(2)8-10-16)12-11-17(14-20-3)19(21)22/h7-12,20H,4-6,13-14H2,1-3H3
InChIKeyPAJNDNDMADYLDA-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.73
Rot. Bonds7

About 3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one

3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one (PubChem CID 82520754) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one.

Molecular Properties

Compound Name3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one
PubChem CID82520754
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one
SMILESCCCCCn1c(-c2ccc(C)cc2)ccc(CNC)c1=O
InChIInChI=1S/C19H26N2O/c1-4-5-6-13-21-18(16-9-7-15(2)8-10-16)12-11-17(14-20-3)19(21)22/h7-12,20H,4-6,13-14H2,1-3H3
InChIKeyPAJNDNDMADYLDA-UHFFFAOYSA-N
XLogP3.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one?
The IUPAC name of 3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one (CID 82520754) is 3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one.
What is the SMILES notation for 3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one?
The canonical SMILES for 3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one is CCCCCn1c(-c2ccc(C)cc2)ccc(CNC)c1=O.
What is the InChIKey of 3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one?
The InChIKey is PAJNDNDMADYLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-4-5-6-13-21-18(16-9-7-15(2)8-10-16)12-11-17(14-20-3)19(21)22/h7-12,20H,4-6,13-14H2,1-3H3.
What are the key properties of 3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one?
3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one has a molecular weight of 298.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one is sourced from PubChem (CID 82520754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).