3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide

C23H28N4O3S — CID 45142472

IUPAC3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nc(OCCN4CCCC4)cc(C)c3c2N)cc1
InChIInChI=1S/C23H28N4O3S/c1-15-13-18(30-12-11-27-9-3-4-10-27)26-23-19(15)20(24)21(31-23)22(28)25-14-16-5-7-17(29-2)8-6-16/h5-8,13H,3-4,9-12,14,24H2,1-2H3,(H,25,28)
InChIKeySGGKLGYCZZOJSC-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.60
Rot. Bonds8

About 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 45142472) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID45142472
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nc(OCCN4CCCC4)cc(C)c3c2N)cc1
InChIInChI=1S/C23H28N4O3S/c1-15-13-18(30-12-11-27-9-3-4-10-27)26-23-19(15)20(24)21(31-23)22(28)25-14-16-5-7-17(29-2)8-6-16/h5-8,13H,3-4,9-12,14,24H2,1-2H3,(H,25,28)
InChIKeySGGKLGYCZZOJSC-UHFFFAOYSA-N
XLogP3.60
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.60
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-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 45142489
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-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713211
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 72713881
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
6-amino-N-[(4-methoxyphenyl)methyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 1005644
3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 3078820
2-(4-methoxyphenyl)-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 24550651
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713422
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide (CID 45142472) is 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2sc3nc(OCCN4CCCC4)cc(C)c3c2N)cc1.
What is the InChIKey of 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is SGGKLGYCZZOJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-15-13-18(30-12-11-27-9-3-4-10-27)26-23-19(15)20(24)21(31-23)22(28)25-14-16-5-7-17(29-2)8-6-16/h5-8,13H,3-4,9-12,14,24H2,1-2H3,(H,25,28).
What are the key properties of 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 45142472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).