6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one

C18H24N2O — CID 82521254

IUPAC6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccccc2)ccc(CNC(C)C)c1=O
InChIInChI=1S/C18H24N2O/c1-4-12-20-17(15-8-6-5-7-9-15)11-10-16(18(20)21)13-19-14(2)3/h5-11,14,19H,4,12-13H2,1-3H3
InChIKeySJEVXDSUBRVRJI-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.42
Rot. Bonds6

About 6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one

6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one (PubChem CID 82521254) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one
PubChem CID82521254
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccccc2)ccc(CNC(C)C)c1=O
InChIInChI=1S/C18H24N2O/c1-4-12-20-17(15-8-6-5-7-9-15)11-10-16(18(20)21)13-19-14(2)3/h5-11,14,19H,4,12-13H2,1-3H3
InChIKeySJEVXDSUBRVRJI-UHFFFAOYSA-N
XLogP3.42
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one
CID 82521163
3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
CID 82521098
6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82519302
2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid
CID 82521071
3-(chloromethyl)-1-(3-methylbutyl)-6-phenylpyridin-2-one
CID 82521073
6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82517956
3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one
CID 82521239
3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one
CID 82525364
2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid
CID 82520595
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82519305
6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one
CID 82520594
6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82520080

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one?
The IUPAC name of 6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one (CID 82521254) is 6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one.
What is the SMILES notation for 6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one?
The canonical SMILES for 6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one is CCCn1c(-c2ccccc2)ccc(CNC(C)C)c1=O.
What is the InChIKey of 6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one?
The InChIKey is SJEVXDSUBRVRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-12-20-17(15-8-6-5-7-9-15)11-10-16(18(20)21)13-19-14(2)3/h5-11,14,19H,4,12-13H2,1-3H3.
What are the key properties of 6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one?
6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one is sourced from PubChem (CID 82521254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).