5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one

C19H24N2O3 — CID 90027992

IUPAC5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cc(N)ccc1OCCC1CC1
InChIInChI=1S/C19H24N2O3/c1-3-23-18-11-19(22)21(2)12-16(18)15-10-14(20)6-7-17(15)24-9-8-13-4-5-13/h6-7,10-13H,3-5,8-9,20H2,1-2H3
InChIKeyNMDKQBFDRNLJEH-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.21
Rot. Bonds7

About 5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one

5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one (PubChem CID 90027992) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one
PubChem CID90027992
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cc(N)ccc1OCCC1CC1
InChIInChI=1S/C19H24N2O3/c1-3-23-18-11-19(22)21(2)12-16(18)15-10-14(20)6-7-17(15)24-9-8-13-4-5-13/h6-7,10-13H,3-5,8-9,20H2,1-2H3
InChIKeyNMDKQBFDRNLJEH-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one?
The IUPAC name of 5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one (CID 90027992) is 5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one is CCOc1cc(=O)n(C)cc1-c1cc(N)ccc1OCCC1CC1.
What is the InChIKey of 5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one?
The InChIKey is NMDKQBFDRNLJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-23-18-11-19(22)21(2)12-16(18)15-10-14(20)6-7-17(15)24-9-8-13-4-5-13/h6-7,10-13H,3-5,8-9,20H2,1-2H3.
What are the key properties of 5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one?
5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one has a molecular weight of 328.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one is sourced from PubChem (CID 90027992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).