N-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide

C24H22N4O3S — CID 25264316

IUPACN-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)Nc1cc(-c2cccc(NC(=O)c3cc4ccccc4s3)c2C)c(C)[nH]c1=O
InChIInChI=1S/C24H22N4O3S/c1-13-16(17-12-19(28-24(31)25-3)22(29)26-14(17)2)8-6-9-18(13)27-23(30)21-11-15-7-4-5-10-20(15)32-21/h4-12H,1-3H3,(H,26,29)(H,27,30)(H2,25,28,31)
InChIKeyCPPLPFTUXVSGBY-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.88
Rot. Bonds4

About N-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide

N-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 25264316) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide
PubChem CID25264316
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)Nc1cc(-c2cccc(NC(=O)c3cc4ccccc4s3)c2C)c(C)[nH]c1=O
InChIInChI=1S/C24H22N4O3S/c1-13-16(17-12-19(28-24(31)25-3)22(29)26-14(17)2)8-6-9-18(13)27-23(30)21-11-15-7-4-5-10-20(15)32-21/h4-12H,1-3H3,(H,26,29)(H,27,30)(H2,25,28,31)
InChIKeyCPPLPFTUXVSGBY-UHFFFAOYSA-N
XLogP4.88
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide 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 N-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide (CID 25264316) is N-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide is CNC(=O)Nc1cc(-c2cccc(NC(=O)c3cc4ccccc4s3)c2C)c(C)[nH]c1=O.
What is the InChIKey of N-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is CPPLPFTUXVSGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-13-16(17-12-19(28-24(31)25-3)22(29)26-14(17)2)8-6-9-18(13)27-23(30)21-11-15-7-4-5-10-20(15)32-21/h4-12H,1-3H3,(H,26,29)(H,27,30)(H2,25,28,31).
What are the key properties of N-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide?
N-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.88, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 25264316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).