1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one

C16H15Cl2NO2 — CID 54680155

IUPAC1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CC1CC1
InChIInChI=1S/C16H15Cl2NO2/c17-12-4-3-11(14(18)8-12)7-13-15(20)5-6-19(16(13)21)9-10-1-2-10/h3-6,8,10,20H,1-2,7,9H2
InChIKeyMKEZVSQDJGTWMP-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.86
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one

1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one (PubChem CID 54680155) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one
PubChem CID54680155
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CC1CC1
InChIInChI=1S/C16H15Cl2NO2/c17-12-4-3-11(14(18)8-12)7-13-15(20)5-6-19(16(13)21)9-10-1-2-10/h3-6,8,10,20H,1-2,7,9H2
InChIKeyMKEZVSQDJGTWMP-UHFFFAOYSA-N
XLogP3.86
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one (CID 54680155) is 1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one is O=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one?
The InChIKey is MKEZVSQDJGTWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c17-12-4-3-11(14(18)8-12)7-13-15(20)5-6-19(16(13)21)9-10-1-2-10/h3-6,8,10,20H,1-2,7,9H2.
What are the key properties of 1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one?
1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one has a molecular weight of 324.21 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 54680155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).