3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one

C17H20N2O2 — CID 82527052

IUPAC3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one
SMILESCOc1ccc(C(N)c2cccn(C3CC3)c2=O)cc1C
InChIInChI=1S/C17H20N2O2/c1-11-10-12(5-8-15(11)21-2)16(18)14-4-3-9-19(17(14)20)13-6-7-13/h3-5,8-10,13,16H,6-7,18H2,1-2H3
InChIKeyFCJKWCIZEIUVHZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.55
Rot. Bonds4

About 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one

3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one (PubChem CID 82527052) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one
PubChem CID82527052
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one
SMILESCOc1ccc(C(N)c2cccn(C3CC3)c2=O)cc1C
InChIInChI=1S/C17H20N2O2/c1-11-10-12(5-8-15(11)21-2)16(18)14-4-3-9-19(17(14)20)13-6-7-13/h3-5,8-10,13,16H,6-7,18H2,1-2H3
InChIKeyFCJKWCIZEIUVHZ-UHFFFAOYSA-N
XLogP2.55
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one
CID 82527055
3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525267
3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one
CID 82526577
3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one
CID 82525413
(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 62650016
(4-methoxy-3-methylphenyl)-naphthalen-1-ylmethanamine
CID 43379648
3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one
CID 82527206
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-ylpyridin-2-one
CID 82526838
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709
3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one
CID 82525197
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one?
The IUPAC name of 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one (CID 82527052) is 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one.
What is the SMILES notation for 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one?
The canonical SMILES for 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one is COc1ccc(C(N)c2cccn(C3CC3)c2=O)cc1C.
What is the InChIKey of 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one?
The InChIKey is FCJKWCIZEIUVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-10-12(5-8-15(11)21-2)16(18)14-4-3-9-19(17(14)20)13-6-7-13/h3-5,8-10,13,16H,6-7,18H2,1-2H3.
What are the key properties of 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one?
3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one is sourced from PubChem (CID 82527052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).