3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one

C17H20N2O3 — CID 82527055

IUPAC3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one
SMILESCOc1ccc(C(N)c2cccn(C3CC3)c2=O)c(OC)c1
InChIInChI=1S/C17H20N2O3/c1-21-12-7-8-13(15(10-12)22-2)16(18)14-4-3-9-19(17(14)20)11-5-6-11/h3-4,7-11,16H,5-6,18H2,1-2H3
InChIKeyVPSGFAGOAKMSHP-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.25
Rot. Bonds5

About 3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one

3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one (PubChem CID 82527055) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one
PubChem CID82527055
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one
SMILESCOc1ccc(C(N)c2cccn(C3CC3)c2=O)c(OC)c1
InChIInChI=1S/C17H20N2O3/c1-21-12-7-8-13(15(10-12)22-2)16(18)14-4-3-9-19(17(14)20)11-5-6-11/h3-4,7-11,16H,5-6,18H2,1-2H3
InChIKeyVPSGFAGOAKMSHP-UHFFFAOYSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one
CID 82527052
(2,4-dimethoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 43197264
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one
CID 82442655
(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477695
(2,4-dimethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43197259
3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one
CID 82526577
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one
CID 62881699
3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one
CID 82525197
1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine
CID 105021986
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one?
The IUPAC name of 3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one (CID 82527055) is 3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one.
What is the SMILES notation for 3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one?
The canonical SMILES for 3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one is COc1ccc(C(N)c2cccn(C3CC3)c2=O)c(OC)c1.
What is the InChIKey of 3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one?
The InChIKey is VPSGFAGOAKMSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-12-7-8-13(15(10-12)22-2)16(18)14-4-3-9-19(17(14)20)11-5-6-11/h3-4,7-11,16H,5-6,18H2,1-2H3.
What are the key properties of 3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one?
3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one has a molecular weight of 300.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one is sourced from PubChem (CID 82527055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).