5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one

C17H22N2O2 — CID 60943818

IUPAC5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC(CC)c2ccc(O)cc2)ccc1=O
InChIInChI=1S/C17H22N2O2/c1-3-11-19-12-14(7-10-17(19)21)18-16(4-2)13-5-8-15(20)9-6-13/h5-10,12,16,18,20H,3-4,11H2,1-2H3
InChIKeyIXHFBOSBKMQURT-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.53
Rot. Bonds6

About 5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one

5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one (PubChem CID 60943818) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one
PubChem CID60943818
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC(CC)c2ccc(O)cc2)ccc1=O
InChIInChI=1S/C17H22N2O2/c1-3-11-19-12-14(7-10-17(19)21)18-16(4-2)13-5-8-15(20)9-6-13/h5-10,12,16,18,20H,3-4,11H2,1-2H3
InChIKeyIXHFBOSBKMQURT-UHFFFAOYSA-N
XLogP3.53
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one
CID 54863912
4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60943308
4-(1-phenylpropylamino)phenol
CID 43742837
5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one
CID 107706094
5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one
CID 60943167
5-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyridin-2-one
CID 54866004
4-[1-(3-chloro-4-fluoroanilino)propyl]phenol
CID 43119212
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838
5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one
CID 114829289
3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60942687
1-propyl-5-(prop-2-ynylamino)pyridin-2-one
CID 63951085
5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one
CID 60943688

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one?
The IUPAC name of 5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one (CID 60943818) is 5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one is CCCn1cc(NC(CC)c2ccc(O)cc2)ccc1=O.
What is the InChIKey of 5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one?
The InChIKey is IXHFBOSBKMQURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-11-19-12-14(7-10-17(19)21)18-16(4-2)13-5-8-15(20)9-6-13/h5-10,12,16,18,20H,3-4,11H2,1-2H3.
What are the key properties of 5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one?
5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one is sourced from PubChem (CID 60943818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).