1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile

C19H19ClN2O3 — CID 19118482

IUPAC1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)CC(C)C)c(O)n(Cc2ccccc2Cl)c(=O)c1C#N
InChIInChI=1S/C19H19ClN2O3/c1-11(2)8-16(23)17-12(3)14(9-21)18(24)22(19(17)25)10-13-6-4-5-7-15(13)20/h4-7,11,25H,8,10H2,1-3H3
InChIKeyHIQSWGFCCWZCKR-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.66
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile

1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile (PubChem CID 19118482) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile
PubChem CID19118482
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)CC(C)C)c(O)n(Cc2ccccc2Cl)c(=O)c1C#N
InChIInChI=1S/C19H19ClN2O3/c1-11(2)8-16(23)17-12(3)14(9-21)18(24)22(19(17)25)10-13-6-4-5-7-15(13)20/h4-7,11,25H,8,10H2,1-3H3
InChIKeyHIQSWGFCCWZCKR-UHFFFAOYSA-N
XLogP3.66
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(4-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19118411
1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile
CID 19118427
1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118499
6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 19116073
1-[(2-chlorophenyl)methyl]-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118500
1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-2-oxo-5-(3,4,5-trimethoxybenzoyl)pyridine-3-carbonitrile
CID 19118446
1-[(2-chlorophenyl)methyl]-5-(3,4-dichloro-1-benzothiophene-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118440
1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-2-oxo-5-(3,4,6-trimethyl-1-benzofuran-2-carbonyl)pyridine-3-carbonitrile
CID 19118520
1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile
CID 50889029
5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 19117970
5-[2-(2-chlorophenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117782
6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
CID 19117946

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile (CID 19118482) is 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile is Cc1c(C(=O)CC(C)C)c(O)n(Cc2ccccc2Cl)c(=O)c1C#N.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is HIQSWGFCCWZCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-11(2)8-16(23)17-12(3)14(9-21)18(24)22(19(17)25)10-13-6-4-5-7-15(13)20/h4-7,11,25H,8,10H2,1-3H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile?
1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 358.83 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19118482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).