1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one

C15H18N2O2 — CID 52921436

IUPAC1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
SMILESNCCCn1cccc(OCc2ccccc2)c1=O
InChIInChI=1S/C15H18N2O2/c16-9-5-11-17-10-4-8-14(15(17)18)19-12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12,16H2
InChIKeyUHDCUBKNTXZQEX-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.78
Rot. Bonds6

About 1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one

1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one (PubChem CID 52921436) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
PubChem CID52921436
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
SMILESNCCCn1cccc(OCc2ccccc2)c1=O
InChIInChI=1S/C15H18N2O2/c16-9-5-11-17-10-4-8-14(15(17)18)19-12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12,16H2
InChIKeyUHDCUBKNTXZQEX-UHFFFAOYSA-N
XLogP1.78
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
CID 82056281
1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
CID 59537177
2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetaldehyde
CID 135229192
1-(2-oxopropyl)-3-phenylmethoxypyridin-2-one
CID 135225818
2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one
CID 93211333
4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile
CID 82151941
1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 82056283
5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid
CID 82151546
1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one
CID 82143334
4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 94758137
3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one
CID 71140131
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide
CID 82056289

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one?
The IUPAC name of 1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one (CID 52921436) is 1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one is NCCCn1cccc(OCc2ccccc2)c1=O.
What is the InChIKey of 1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one?
The InChIKey is UHDCUBKNTXZQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-9-5-11-17-10-4-8-14(15(17)18)19-12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12,16H2.
What are the key properties of 1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one?
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one is sourced from PubChem (CID 52921436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).