3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide

C21H24N4O3S — CID 45142489

IUPAC3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(OCCN2CCOCC2)nc2sc(C(=O)Nc3ccccc3)c(N)c12
InChIInChI=1S/C21H24N4O3S/c1-14-13-16(28-12-9-25-7-10-27-11-8-25)24-21-17(14)18(22)19(29-21)20(26)23-15-5-3-2-4-6-15/h2-6,13H,7-12,22H2,1H3,(H,23,26)
InChIKeyCGKOQKKSYUOXIG-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.15
Rot. Bonds6

About 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 45142489) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID45142489
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(OCCN2CCOCC2)nc2sc(C(=O)Nc3ccccc3)c(N)c12
InChIInChI=1S/C21H24N4O3S/c1-14-13-16(28-12-9-25-7-10-27-11-8-25)24-21-17(14)18(22)19(29-21)20(26)23-15-5-3-2-4-6-15/h2-6,13H,7-12,22H2,1H3,(H,23,26)
InChIKeyCGKOQKKSYUOXIG-UHFFFAOYSA-N
XLogP3.15
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
CID 45142481
3-amino-N-tert-butyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
CID 45142483
3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 45142479
3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
CID 45142472
3-amino-4,6-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997925
1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea
CID 90894366
3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734377
2-benzyl-4-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55906052
3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide
CID 169006544
3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22269064
2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 143450222
N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258759

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 45142489) is 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)Nc3ccccc3)c(N)c12.
What is the InChIKey of 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CGKOQKKSYUOXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14-13-16(28-12-9-25-7-10-27-11-8-25)24-21-17(14)18(22)19(29-21)20(26)23-15-5-3-2-4-6-15/h2-6,13H,7-12,22H2,1H3,(H,23,26).
What are the key properties of 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 45142489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).