3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide

C26H26N4OS — CID 23942274

IUPAC3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3sc4nc(CC(C)C)ccc4c3N)ccc21
InChIInChI=1S/C26H26N4OS/c1-4-30-21-8-6-5-7-18(21)20-14-17(10-12-22(20)30)28-25(31)24-23(27)19-11-9-16(13-15(2)3)29-26(19)32-24/h5-12,14-15H,4,13,27H2,1-3H3,(H,28,31)
InChIKeyNCKVJYLGITWILL-UHFFFAOYSA-N
MW442.59 g/mol
LogP6.46
Rot. Bonds5

About 3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23942274) has the molecular formula C26H26N4OS and a molecular weight of 442.59 g/mol. Its IUPAC name is 3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23942274
Molecular FormulaC26H26N4OS
Molecular Weight442.59 g/mol
Exact Mass442.18
IUPAC Name3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3sc4nc(CC(C)C)ccc4c3N)ccc21
InChIInChI=1S/C26H26N4OS/c1-4-30-21-8-6-5-7-18(21)20-14-17(10-12-22(20)30)28-25(31)24-23(27)19-11-9-16(13-15(2)3)29-26(19)32-24/h5-12,14-15H,4,13,27H2,1-3H3,(H,28,31)
InChIKeyNCKVJYLGITWILL-UHFFFAOYSA-N
XLogP6.46
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.59
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23942272
3-amino-N-(3-methylphenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23745667
5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide
CID 2313809
methyl 2-[[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 23745635
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
3-amino-N-(4-ethylphenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23888928
3-amino-N-(4-cyanophenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23916903
[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7274848
N-(9-ethylcarbazol-3-yl)-2-methyl-3-pyridin-4-ylpropanamide
CID 70240283
ethyl 2-[[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate
CID 23830042
N-(9-ethylcarbazol-3-yl)-2-fluorobenzamide
CID 3128405
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23942274) is 3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide is CCn1c2ccccc2c2cc(NC(=O)c3sc4nc(CC(C)C)ccc4c3N)ccc21.
What is the InChIKey of 3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NCKVJYLGITWILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4OS/c1-4-30-21-8-6-5-7-18(21)20-14-17(10-12-22(20)30)28-25(31)24-23(27)19-11-9-16(13-15(2)3)29-26(19)32-24/h5-12,14-15H,4,13,27H2,1-3H3,(H,28,31).
What are the key properties of 3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 442.59 g/mol, XLogP of 6.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23942274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).