3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one

C15H17ClN2O2 — CID 82527206

IUPAC3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one
SMILESCCn1cccc(C(N)c2ccc(OC)c(Cl)c2)c1=O
InChIInChI=1S/C15H17ClN2O2/c1-3-18-8-4-5-11(15(18)19)14(17)10-6-7-13(20-2)12(16)9-10/h4-9,14H,3,17H2,1-2H3
InChIKeySPDXQRWHECVULO-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.58
Rot. Bonds4

About 3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one

3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one (PubChem CID 82527206) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one
PubChem CID82527206
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one
SMILESCCn1cccc(C(N)c2ccc(OC)c(Cl)c2)c1=O
InChIInChI=1S/C15H17ClN2O2/c1-3-18-8-4-5-11(15(18)19)14(17)10-6-7-13(20-2)12(16)9-10/h4-9,14H,3,17H2,1-2H3
InChIKeySPDXQRWHECVULO-UHFFFAOYSA-N
XLogP2.58
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one
CID 82526973
3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one
CID 82527218
3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526521
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526360
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 82782889
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one
CID 82525413
3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one
CID 82527052
(3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 103219970
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine
CID 43130972
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63047550

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one?
The IUPAC name of 3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one (CID 82527206) is 3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one.
What is the SMILES notation for 3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one?
The canonical SMILES for 3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one is CCn1cccc(C(N)c2ccc(OC)c(Cl)c2)c1=O.
What is the InChIKey of 3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one?
The InChIKey is SPDXQRWHECVULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-18-8-4-5-11(15(18)19)14(17)10-6-7-13(20-2)12(16)9-10/h4-9,14H,3,17H2,1-2H3.
What are the key properties of 3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one?
3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one has a molecular weight of 292.77 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one is sourced from PubChem (CID 82527206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).