5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide

C27H27N5O2S — CID 176510239

IUPAC5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCc1ccccc1Nc1ncc(C(=O)NC2CCN(C)C2)cc1NC(=O)c1csc2ccccc12
InChIInChI=1S/C27H27N5O2S/c1-17-7-3-5-9-22(17)30-25-23(31-27(34)21-16-35-24-10-6-4-8-20(21)24)13-18(14-28-25)26(33)29-19-11-12-32(2)15-19/h3-10,13-14,16,19H,11-12,15H2,1-2H3,(H,28,30)(H,29,33)(H,31,34)
InChIKeyQBVZISGDRJSJFO-UHFFFAOYSA-N
MW485.61 g/mol
LogP5.03
Rot. Bonds6

About 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide

5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide (PubChem CID 176510239) has the molecular formula C27H27N5O2S and a molecular weight of 485.61 g/mol. Its IUPAC name is 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
PubChem CID176510239
Molecular FormulaC27H27N5O2S
Molecular Weight485.61 g/mol
Exact Mass485.19
IUPAC Name5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCc1ccccc1Nc1ncc(C(=O)NC2CCN(C)C2)cc1NC(=O)c1csc2ccccc12
InChIInChI=1S/C27H27N5O2S/c1-17-7-3-5-9-22(17)30-25-23(31-27(34)21-16-35-24-10-6-4-8-20(21)24)13-18(14-28-25)26(33)29-19-11-12-32(2)15-19/h3-10,13-14,16,19H,11-12,15H2,1-2H3,(H,28,30)(H,29,33)(H,31,34)
InChIKeyQBVZISGDRJSJFO-UHFFFAOYSA-N
XLogP5.03
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.61
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(1-benzothiophene-3-carbonylamino)-N-(3-hydroxycyclopentyl)-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512110
5-(1-benzothiophene-3-carbonylamino)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 176510273
5-(1-benzothiophene-3-carbonylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 176510190
N-[5-(3-methoxyazetidine-1-carbonyl)-2-(2-methylanilino)-3-pyridinyl]-1-benzothiophene-3-carboxamide
CID 176510216
5-(1-benzothiophene-3-carbonylamino)-N-[(3-hydroxycyclopentyl)methyl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 176510250
N-[2-(2-methylanilino)-5-(methylcarbamothioyl)-3-pyridinyl]-1-benzothiophene-3-carboxamide
CID 176510139
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 167512267
5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 167512078
5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide
CID 176510263
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide
CID 112846041
5-(1-benzothiophene-3-carbonylamino)-6-(4-methylanilino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 176510050

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide (CID 176510239) is 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide is Cc1ccccc1Nc1ncc(C(=O)NC2CCN(C)C2)cc1NC(=O)c1csc2ccccc12.
What is the InChIKey of 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The InChIKey is QBVZISGDRJSJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2S/c1-17-7-3-5-9-22(17)30-25-23(31-27(34)21-16-35-24-10-6-4-8-20(21)24)13-18(14-28-25)26(33)29-19-11-12-32(2)15-19/h3-10,13-14,16,19H,11-12,15H2,1-2H3,(H,28,30)(H,29,33)(H,31,34).
What are the key properties of 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 176510239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).