3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one

C15H18N2O2 — CID 139946734

IUPAC3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one
SMILESCOc1cccc(-c2ccn(C(C)C)c(=O)c2N)c1
InChIInChI=1S/C15H18N2O2/c1-10(2)17-8-7-13(14(16)15(17)18)11-5-4-6-12(9-11)19-3/h4-10H,16H2,1-3H3
InChIKeySAYVRNJZMWRCDP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.69
Rot. Bonds3

About 3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one

3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one (PubChem CID 139946734) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one
PubChem CID139946734
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one
SMILESCOc1cccc(-c2ccn(C(C)C)c(=O)c2N)c1
InChIInChI=1S/C15H18N2O2/c1-10(2)17-8-7-13(14(16)15(17)18)11-5-4-6-12(9-11)19-3/h4-10H,16H2,1-3H3
InChIKeySAYVRNJZMWRCDP-UHFFFAOYSA-N
XLogP2.69
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one (CID 139946734) is 3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one is COc1cccc(-c2ccn(C(C)C)c(=O)c2N)c1.
What is the InChIKey of 3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one?
The InChIKey is SAYVRNJZMWRCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)17-8-7-13(14(16)15(17)18)11-5-4-6-12(9-11)19-3/h4-10H,16H2,1-3H3.
What are the key properties of 3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one?
3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 139946734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).