3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one

C17H20N2O2 — CID 82525197

IUPAC3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one
SMILESCOc1ccc(C(N)c2ccc(C)n(C3CC3)c2=O)cc1
InChIInChI=1S/C17H20N2O2/c1-11-3-10-15(17(20)19(11)13-6-7-13)16(18)12-4-8-14(21-2)9-5-12/h3-5,8-10,13,16H,6-7,18H2,1-2H3
InChIKeyYYPVFYVYDOADQC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.55
Rot. Bonds4

About 3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one

3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one (PubChem CID 82525197) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one
PubChem CID82525197
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one
SMILESCOc1ccc(C(N)c2ccc(C)n(C3CC3)c2=O)cc1
InChIInChI=1S/C17H20N2O2/c1-11-3-10-15(17(20)19(11)13-6-7-13)16(18)12-4-8-14(21-2)9-5-12/h3-5,8-10,13,16H,6-7,18H2,1-2H3
InChIKeyYYPVFYVYDOADQC-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

(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(4-methoxyphenyl)-(2-methylphenyl)methanamine
CID 24688459
3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one
CID 82527055
3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one
CID 82527052
3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one
CID 82188971
3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one
CID 82526120
3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one
CID 82525499
(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
CID 106856981
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525267
3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one
CID 82525413
3-acetyl-1-cyclopropyl-6-methylpyridin-2-one
CID 82525165

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one?
The IUPAC name of 3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one (CID 82525197) is 3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one.
What is the SMILES notation for 3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one?
The canonical SMILES for 3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one is COc1ccc(C(N)c2ccc(C)n(C3CC3)c2=O)cc1.
What is the InChIKey of 3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one?
The InChIKey is YYPVFYVYDOADQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-3-10-15(17(20)19(11)13-6-7-13)16(18)12-4-8-14(21-2)9-5-12/h3-5,8-10,13,16H,6-7,18H2,1-2H3.
What are the key properties of 3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one?
3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-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-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one is sourced from PubChem (CID 82525197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).