5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one

C17H20N2O2 — CID 90027888

IUPAC5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one
SMILESCc1cc(OCC2CC2)c(-c2ccc(=O)n(C)c2)cc1N
InChIInChI=1S/C17H20N2O2/c1-11-7-16(21-10-12-3-4-12)14(8-15(11)18)13-5-6-17(20)19(2)9-13/h5-9,12H,3-4,10,18H2,1-2H3
InChIKeyYWKICWFOQFQHBA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.73
Rot. Bonds4

About 5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one

5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one (PubChem CID 90027888) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one
PubChem CID90027888
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one
SMILESCc1cc(OCC2CC2)c(-c2ccc(=O)n(C)c2)cc1N
InChIInChI=1S/C17H20N2O2/c1-11-7-16(21-10-12-3-4-12)14(8-15(11)18)13-5-6-17(20)19(2)9-13/h5-9,12H,3-4,10,18H2,1-2H3
InChIKeyYWKICWFOQFQHBA-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one (CID 90027888) is 5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one is Cc1cc(OCC2CC2)c(-c2ccc(=O)n(C)c2)cc1N.
What is the InChIKey of 5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one?
The InChIKey is YWKICWFOQFQHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-7-16(21-10-12-3-4-12)14(8-15(11)18)13-5-6-17(20)19(2)9-13/h5-9,12H,3-4,10,18H2,1-2H3.
What are the key properties of 5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one?
5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 90027888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).