3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one

C16H18N2O — CID 82521328

IUPAC3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one
SMILESCn1c(-c2ccccc2)ccc(CNC2CC2)c1=O
InChIInChI=1S/C16H18N2O/c1-18-15(12-5-3-2-4-6-12)10-7-13(16(18)19)11-17-14-8-9-14/h2-7,10,14,17H,8-9,11H2,1H3
InChIKeyWVEGMRYNYQXXQQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.30
Rot. Bonds4

About 3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one

3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one (PubChem CID 82521328) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one
PubChem CID82521328
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one
SMILESCn1c(-c2ccccc2)ccc(CNC2CC2)c1=O
InChIInChI=1S/C16H18N2O/c1-18-15(12-5-3-2-4-6-12)10-7-13(16(18)19)11-17-14-8-9-14/h2-7,10,14,17H,8-9,11H2,1H3
InChIKeyWVEGMRYNYQXXQQ-UHFFFAOYSA-N
XLogP2.30
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one?
The IUPAC name of 3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one (CID 82521328) is 3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one is Cn1c(-c2ccccc2)ccc(CNC2CC2)c1=O.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one?
The InChIKey is WVEGMRYNYQXXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18-15(12-5-3-2-4-6-12)10-7-13(16(18)19)11-17-14-8-9-14/h2-7,10,14,17H,8-9,11H2,1H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one?
3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one has a molecular weight of 254.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one is sourced from PubChem (CID 82521328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).