3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one

C16H19ClN2O2 — CID 82526360

IUPAC3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1cccc(C(N)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H19ClN2O2/c1-21-11-3-10-19-9-2-4-14(16(19)20)15(18)12-5-7-13(17)8-6-12/h2,4-9,15H,3,10-11,18H2,1H3
InChIKeyJHPGJPRMBZBPFB-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.59
Rot. Bonds6

About 3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one

3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one (PubChem CID 82526360) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one.

Molecular Properties

Compound Name3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
PubChem CID82526360
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1cccc(C(N)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H19ClN2O2/c1-21-11-3-10-19-9-2-4-14(16(19)20)15(18)12-5-7-13(17)8-6-12/h2,4-9,15H,3,10-11,18H2,1H3
InChIKeyJHPGJPRMBZBPFB-UHFFFAOYSA-N
XLogP2.59
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526521
3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526362
3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one
CID 82526914
3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one
CID 82526973
3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526375
3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one
CID 82527206
3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one
CID 82526577
1-(4-chlorophenyl)-4-methoxybutan-1-amine
CID 62607559
3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526386
2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione
CID 164570831
1-(4-chlorophenyl)-3-methoxypropan-1-amine;hydrochloride
CID 71756127
2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine
CID 104649672

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one?
The IUPAC name of 3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one (CID 82526360) is 3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one.
What is the SMILES notation for 3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one?
The canonical SMILES for 3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one is COCCCn1cccc(C(N)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one?
The InChIKey is JHPGJPRMBZBPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-21-11-3-10-19-9-2-4-14(16(19)20)15(18)12-5-7-13(17)8-6-12/h2,4-9,15H,3,10-11,18H2,1H3.
What are the key properties of 3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one?
3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one has a molecular weight of 306.79 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one is sourced from PubChem (CID 82526360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).