6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide

C23H21N5O2S — CID 67502211

IUPAC6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(N(C)c3cccc4ccsc34)c(C(N)=O)cn2)cc1
InChIInChI=1S/C23H21N5O2S/c1-14(29)26-16-6-8-17(9-7-16)27-21-12-20(18(13-25-21)23(24)30)28(2)19-5-3-4-15-10-11-31-22(15)19/h3-13H,1-2H3,(H2,24,30)(H,25,27)(H,26,29)
InChIKeyOKXRUPCIVATWOB-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.87
Rot. Bonds6

About 6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide

6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide (PubChem CID 67502211) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide
PubChem CID67502211
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(N(C)c3cccc4ccsc34)c(C(N)=O)cn2)cc1
InChIInChI=1S/C23H21N5O2S/c1-14(29)26-16-6-8-17(9-7-16)27-21-12-20(18(13-25-21)23(24)30)28(2)19-5-3-4-15-10-11-31-22(15)19/h3-13H,1-2H3,(H2,24,30)(H,25,27)(H,26,29)
InChIKeyOKXRUPCIVATWOB-UHFFFAOYSA-N
XLogP4.87
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]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

4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide
CID 67503172
6-(3-acetamidoanilino)-4-(N-ethyl-2-hydroxyanilino)pyridine-3-carboxamide
CID 68755634
N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide
CID 24705827
4-[1H-indol-4-yl(methyl)amino]-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide
CID 67501878
4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide
CID 56970219
4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
CID 67500903
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide
CID 67516012
methyl N-[6-(3-acetamidoanilino)-3-pyridinyl]carbamate
CID 113020514
N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866755
2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide
CID 159634917
6-(4-acetamidoanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109164557

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide (CID 67502211) is 6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide is CC(=O)Nc1ccc(Nc2cc(N(C)c3cccc4ccsc34)c(C(N)=O)cn2)cc1.
What is the InChIKey of 6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide?
The InChIKey is OKXRUPCIVATWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-14(29)26-16-6-8-17(9-7-16)27-21-12-20(18(13-25-21)23(24)30)28(2)19-5-3-4-15-10-11-31-22(15)19/h3-13H,1-2H3,(H2,24,30)(H,25,27)(H,26,29).
What are the key properties of 6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide?
6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 67502211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).