4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one

C18H23ClN2O — CID 127048644

IUPAC4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one
SMILESCCCCCn1c(C)cc(NCc2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C18H23ClN2O/c1-3-4-5-10-21-14(2)11-17(12-18(21)22)20-13-15-6-8-16(19)9-7-15/h6-9,11-12,20H,3-5,10,13H2,1-2H3
InChIKeyNTQIJMLBZYTGFD-UHFFFAOYSA-N
MW318.85 g/mol
LogP4.61
Rot. Bonds7

About 4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one

4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one (PubChem CID 127048644) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one
PubChem CID127048644
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one
SMILESCCCCCn1c(C)cc(NCc2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C18H23ClN2O/c1-3-4-5-10-21-14(2)11-17(12-18(21)22)20-13-15-6-8-16(19)9-7-15/h6-9,11-12,20H,3-5,10,13H2,1-2H3
InChIKeyNTQIJMLBZYTGFD-UHFFFAOYSA-N
XLogP4.61
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 54.61
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 4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one?
The IUPAC name of 4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one (CID 127048644) is 4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one?
The canonical SMILES for 4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one is CCCCCn1c(C)cc(NCc2ccc(Cl)cc2)cc1=O.
What is the InChIKey of 4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one?
The InChIKey is NTQIJMLBZYTGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O/c1-3-4-5-10-21-14(2)11-17(12-18(21)22)20-13-15-6-8-16(19)9-7-15/h6-9,11-12,20H,3-5,10,13H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one?
4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one has a molecular weight of 318.85 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylamino]-6-methyl-1-pentylpyridin-2-one is sourced from PubChem (CID 127048644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).