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

C15H17ClN2O2 — CID 82526521

IUPAC3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cccc(C(N)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H17ClN2O2/c1-20-10-9-18-8-2-3-13(15(18)19)14(17)11-4-6-12(16)7-5-11/h2-8,14H,9-10,17H2,1H3
InChIKeyOVEIUVBEXYDFGF-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.20
Rot. Bonds5

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

3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 82526521) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one
PubChem CID82526521
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cccc(C(N)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H17ClN2O2/c1-20-10-9-18-8-2-3-13(15(18)19)14(17)11-4-6-12(16)7-5-11/h2-8,14H,9-10,17H2,1H3
InChIKeyOVEIUVBEXYDFGF-UHFFFAOYSA-N
XLogP2.20
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526360
3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one
CID 82526973
3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one
CID 82526914
3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one
CID 82527206
3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526362
3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one
CID 82526577
1-(2-methoxyethyl)-3-(propan-2-ylamino)pyridin-2-one
CID 139373358
1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178098981
1-(2-methoxyethyl)-3-nitropyridin-2-one
CID 89012682
3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one
CID 54680136
1-(4-chlorophenyl)-3-methoxypropan-1-amine;hydrochloride
CID 71756127
3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one
CID 82527218

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one (CID 82526521) is 3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one is COCCn1cccc(C(N)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is OVEIUVBEXYDFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-20-10-9-18-8-2-3-13(15(18)19)14(17)11-4-6-12(16)7-5-11/h2-8,14H,9-10,17H2,1H3.
What are the key properties of 3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one?
3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 292.77 g/mol, XLogP of 2.20, 5 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-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 82526521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).