3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

C18H22N4O2S — CID 124983437

IUPAC3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@@H]3CCCN3C(=O)C3CCC3)ccc2c1N
InChIInChI=1S/C18H22N4O2S/c1-20-16(23)15-14(19)11-7-8-12(21-17(11)25-15)13-6-3-9-22(13)18(24)10-4-2-5-10/h7-8,10,13H,2-6,9,19H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyNDUDXEOYZXPEGE-ZDUSSCGKSA-N
MW358.47 g/mol
LogP2.70
Rot. Bonds3

About 3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 124983437) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID124983437
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@@H]3CCCN3C(=O)C3CCC3)ccc2c1N
InChIInChI=1S/C18H22N4O2S/c1-20-16(23)15-14(19)11-7-8-12(21-17(11)25-15)13-6-3-9-22(13)18(24)10-4-2-5-10/h7-8,10,13H,2-6,9,19H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyNDUDXEOYZXPEGE-ZDUSSCGKSA-N
XLogP2.70
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (CID 124983437) is 3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc([C@@H]3CCCN3C(=O)C3CCC3)ccc2c1N.
What is the InChIKey of 3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NDUDXEOYZXPEGE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-20-16(23)15-14(19)11-7-8-12(21-17(11)25-15)13-6-3-9-22(13)18(24)10-4-2-5-10/h7-8,10,13H,2-6,9,19H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of 3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 124983437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).