5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide

C21H25N3O2S — CID 58063715

IUPAC5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)c1cc2c(N)c(C(=O)NC34CC5CC(CC(C5)C3)C4)sc2nc1C
InChIInChI=1S/C21H25N3O2S/c1-10-15(11(2)25)6-16-17(22)18(27-20(16)23-10)19(26)24-21-7-12-3-13(8-21)5-14(4-12)9-21/h6,12-14H,3-5,7-9,22H2,1-2H3,(H,24,26)
InChIKeyCPOHZRPWGJDTQN-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.09
Rot. Bonds3

About 5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide

5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 58063715) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID58063715
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)c1cc2c(N)c(C(=O)NC34CC5CC(CC(C5)C3)C4)sc2nc1C
InChIInChI=1S/C21H25N3O2S/c1-10-15(11(2)25)6-16-17(22)18(27-20(16)23-10)19(26)24-21-7-12-3-13(8-21)5-14(4-12)9-21/h6,12-14H,3-5,7-9,22H2,1-2H3,(H,24,26)
InChIKeyCPOHZRPWGJDTQN-UHFFFAOYSA-N
XLogP4.09
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155927644
N-(1-adamantyl)-3,6-diamino-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 7211606
methyl 4-[3-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)-2,5-dimethylpyrrol-1-yl]benzoate
CID 47091759
3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155812590
1-N,3-N-bis(1-adamantyl)-5-aminobenzene-1,3-dicarboxamide
CID 57309710
methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 131254450
N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62153733
N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide
CID 62153371
3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
CID 99989482
N-(1-adamantyl)-2,5-dimethylbenzamide
CID 7732516
N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84577194
N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355510

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 58063715) is 5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide is CC(=O)c1cc2c(N)c(C(=O)NC34CC5CC(CC(C5)C3)C4)sc2nc1C.
What is the InChIKey of 5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CPOHZRPWGJDTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-10-15(11(2)25)6-16-17(22)18(27-20(16)23-10)19(26)24-21-7-12-3-13(8-21)5-14(4-12)9-21/h6,12-14H,3-5,7-9,22H2,1-2H3,(H,24,26).
What are the key properties of 5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?
5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 58063715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).