5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C19H15ClN2O3S — CID 19115095

IUPAC5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)c2sc3cc(C)ccc3c2Cl)c(C)c(C#N)c1=O
InChIInChI=1S/C19H15ClN2O3S/c1-4-22-18(24)12(8-21)10(3)14(19(22)25)16(23)17-15(20)11-6-5-9(2)7-13(11)26-17/h5-7,25H,4H2,1-3H3
InChIKeyULAJHLASZQQPNC-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.16
Rot. Bonds3

About 5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115095) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is 5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19115095
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC Name5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)c2sc3cc(C)ccc3c2Cl)c(C)c(C#N)c1=O
InChIInChI=1S/C19H15ClN2O3S/c1-4-22-18(24)12(8-21)10(3)14(19(22)25)16(23)17-15(20)11-6-5-9(2)7-13(11)26-17/h5-7,25H,4H2,1-3H3
InChIKeyULAJHLASZQQPNC-UHFFFAOYSA-N
XLogP4.16
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115095) is 5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCn1c(O)c(C(=O)c2sc3cc(C)ccc3c2Cl)c(C)c(C#N)c1=O.
What is the InChIKey of 5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is ULAJHLASZQQPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-4-22-18(24)12(8-21)10(3)14(19(22)25)16(23)17-15(20)11-6-5-9(2)7-13(11)26-17/h5-7,25H,4H2,1-3H3.
What are the key properties of 5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 386.86 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).