N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(4-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(1-hydroxyethenyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

C122H126N18O12S6 — CID 161454443

About N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(4-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(1-hydroxyethenyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(4-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(1-hydroxyethenyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 161454443) has the molecular formula C122H126N18O12S6 and a molecular weight of 2228.87 g/mol. Its IUPAC name is N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(4-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(1-hydroxyethenyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(4-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(1-hydroxyethenyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 161454443
• Molecular Formula: C122H126N18O12S6
• Molecular Weight: 2228.87 g/mol
• Exact Mass: 2226.81
• IUPAC Name: N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(4-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(1-hydroxyethenyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: C=C(O)c1cccc(CCNC(=O)c2sc3nc(C)ccc3c2N)c1.CC(=O)Cc1ccc(CCNC(=O)c2sc3nc(C)ccc3c2N)cc1.CC(=O)Cc1cccc(CCNC(=O)c2sc3nc(C)ccc3c2N)c1.CC(=O)[C@@H]1Cc2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2C1.CC(=O)[C@H]1Cc2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2C1.CC(=O)c1ccc(CCNC(=O)c2sc3nc(C)ccc3c2N)cc1
• InChI: InChI=1S/2C22H23N3O2S.2C20H21N3O2S.2C19H19N3O2S/c2*1-12-3-6-18-19(23)20(28-22(18)25-12)21(27)24-8-7-14-4-5-15-10-16(13(2)26)11-17(15)9-14;1-12-3-8-16-17(21)18(26-20(16)23-12)19(25)22-10-9-14-4-6-15(7-5-14)11-13(2)24;1-12-6-7-16-17(21)18(26-20(16)23-12)19(25)22-9-8-14-4-3-5-15(11-14)10-13(2)24;1-11-3-8-15-16(20)17(25-19(15)22-11)18(24)21-10-9-13-4-6-14(7-5-13)12(2)23;1-11-6-7-15-16(20)17(25-19(15)22-11)18(24)21-9-8-13-4-3-5-14(10-13)12(2)23/h2*3-6,9,16H,7-8,10-11,23H2,1-2H3,(H,24,27);3-8H,9-11,21H2,1-2H3,(H,22,25);3-7,11H,8-10,21H2,1-2H3,(H,22,25);3-8H,9-10,20H2,1-2H3,(H,21,24);3-7,10,23H,2,8-9,20H2,1H3,(H,21,24)/t2*16-;;;;/m10..../s1
• InChIKey: WAYSMIQMDGUCFM-GVPLZXMQSA-N
• XLogP: 20.56
• TPSA: 513.64 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2228.87
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(4-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(1-hydroxyethenyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(4-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(1-hydroxyethenyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 161454443) is N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(4-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(1-hydroxyethenyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(4-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(1-hydroxyethenyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(4-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(1-hydroxyethenyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is C=C(O)c1cccc(CCNC(=O)c2sc3nc(C)ccc3c2N)c1.CC(=O)Cc1ccc(CCNC(=O)c2sc3nc(C)ccc3c2N)cc1.CC(=O)Cc1cccc(CCNC(=O)c2sc3nc(C)ccc3c2N)c1.CC(=O)[C@@H]1Cc2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2C1.CC(=O)[C@H]1Cc2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2C1.CC(=O)c1ccc(CCNC(=O)c2sc3nc(C)ccc3c2N)cc1.

What is the InChIKey of N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(4-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(1-hydroxyethenyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is WAYSMIQMDGUCFM-GVPLZXMQSA-N. The full InChI is InChI=1S/2C22H23N3O2S.2C20H21N3O2S.2C19H19N3O2S/c2*1-12-3-6-18-19(23)20(28-22(18)25-12)21(27)24-8-7-14-4-5-15-10-16(13(2)26)11-17(15)9-14;1-12-3-8-16-17(21)18(26-20(16)23-12)19(25)22-10-9-14-4-6-15(7-5-14)11-13(2)24;1-12-6-7-16-17(21)18(26-20(16)23-12)19(25)22-9-8-14-4-3-5-15(11-14)10-13(2)24;1-11-3-8-15-16(20)17(25-19(15)22-11)18(24)21-10-9-13-4-6-14(7-5-13)12(2)23;1-11-6-7-15-16(20)17(25-19(15)22-11)18(24)21-9-8-13-4-3-5-14(10-13)12(2)23/h2*3-6,9,16H,7-8,10-11,23H2,1-2H3,(H,24,27);3-8H,9-11,21H2,1-2H3,(H,22,25);3-7,11H,8-10,21H2,1-2H3,(H,22,25);3-8H,9-10,20H2,1-2H3,(H,21,24);3-7,10,23H,2,8-9,20H2,1H3,(H,21,24)/t2*16-;;;;/m10..../s1.

What are the key properties of N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(4-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(1-hydroxyethenyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(4-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(1-hydroxyethenyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2228.87 g/mol, XLogP of 20.56, 32 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(4-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(1-hydroxyethenyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(2-oxopropyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 161454443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).