4-(benzylamino)-6-methyl-1-pentylpyridin-2-one

C18H24N2O — CID 127050224

IUPAC4-(benzylamino)-6-methyl-1-pentylpyridin-2-one
SMILESCCCCCn1c(C)cc(NCc2ccccc2)cc1=O
InChIInChI=1S/C18H24N2O/c1-3-4-8-11-20-15(2)12-17(13-18(20)21)19-14-16-9-6-5-7-10-16/h5-7,9-10,12-13,19H,3-4,8,11,14H2,1-2H3
InChIKeyXCEYUKNURZMKTA-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.96
Rot. Bonds7

About 4-(benzylamino)-6-methyl-1-pentylpyridin-2-one

4-(benzylamino)-6-methyl-1-pentylpyridin-2-one (PubChem CID 127050224) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(benzylamino)-6-methyl-1-pentylpyridin-2-one.

Molecular Properties

Compound Name4-(benzylamino)-6-methyl-1-pentylpyridin-2-one
PubChem CID127050224
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-(benzylamino)-6-methyl-1-pentylpyridin-2-one
SMILESCCCCCn1c(C)cc(NCc2ccccc2)cc1=O
InChIInChI=1S/C18H24N2O/c1-3-4-8-11-20-15(2)12-17(13-18(20)21)19-14-16-9-6-5-7-10-16/h5-7,9-10,12-13,19H,3-4,8,11,14H2,1-2H3
InChIKeyXCEYUKNURZMKTA-UHFFFAOYSA-N
XLogP3.96
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.96
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-(benzylamino)-6-methyl-1-pentylpyridin-2-one?
The IUPAC name of 4-(benzylamino)-6-methyl-1-pentylpyridin-2-one (CID 127050224) is 4-(benzylamino)-6-methyl-1-pentylpyridin-2-one.
What is the SMILES notation for 4-(benzylamino)-6-methyl-1-pentylpyridin-2-one?
The canonical SMILES for 4-(benzylamino)-6-methyl-1-pentylpyridin-2-one is CCCCCn1c(C)cc(NCc2ccccc2)cc1=O.
What is the InChIKey of 4-(benzylamino)-6-methyl-1-pentylpyridin-2-one?
The InChIKey is XCEYUKNURZMKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-4-8-11-20-15(2)12-17(13-18(20)21)19-14-16-9-6-5-7-10-16/h5-7,9-10,12-13,19H,3-4,8,11,14H2,1-2H3.
What are the key properties of 4-(benzylamino)-6-methyl-1-pentylpyridin-2-one?
4-(benzylamino)-6-methyl-1-pentylpyridin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-6-methyl-1-pentylpyridin-2-one is sourced from PubChem (CID 127050224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).