3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide

C22H22N4OS — CID 23942272

IUPAC3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2sc3nc(CC(C)C)ccc3c2N)c2ccccc2n1
InChIInChI=1S/C22H22N4OS/c1-12(2)10-14-8-9-16-19(23)20(28-22(16)25-14)21(27)26-18-11-13(3)24-17-7-5-4-6-15(17)18/h4-9,11-12H,10,23H2,1-3H3,(H,24,26,27)
InChIKeyVREZLFFVLRCQLK-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.19
Rot. Bonds4

About 3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23942272) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23942272
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2sc3nc(CC(C)C)ccc3c2N)c2ccccc2n1
InChIInChI=1S/C22H22N4OS/c1-12(2)10-14-8-9-16-19(23)20(28-22(16)25-14)21(27)26-18-11-13(3)24-17-7-5-4-6-15(17)18/h4-9,11-12H,10,23H2,1-3H3,(H,24,26,27)
InChIKeyVREZLFFVLRCQLK-UHFFFAOYSA-N
XLogP5.19
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23832664
3-amino-N-(9-ethylcarbazol-3-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23942274
3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 949210
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997986
methyl 2-[[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 23745635
3-amino-N-(4-ethoxyphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745634
3-amino-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23888932
3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23832639
3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide
CID 14906132
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
(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 61148862
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 23942272) is 3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(NC(=O)c2sc3nc(CC(C)C)ccc3c2N)c2ccccc2n1.
What is the InChIKey of 3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VREZLFFVLRCQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-12(2)10-14-8-9-16-19(23)20(28-22(16)25-14)21(27)26-18-11-13(3)24-17-7-5-4-6-15(17)18/h4-9,11-12H,10,23H2,1-3H3,(H,24,26,27).
What are the key properties of 3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23942272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).