3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

C19H24N4O3S — CID 124958655

IUPAC3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@H]3CCCN3C(=O)C3CCOCC3)ccc2c1N
InChIInChI=1S/C19H24N4O3S/c1-21-17(24)16-15(20)12-4-5-13(22-18(12)27-16)14-3-2-8-23(14)19(25)11-6-9-26-10-7-11/h4-5,11,14H,2-3,6-10,20H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyGHWTZLMTFNDTAZ-CQSZACIVSA-N
MW388.49 g/mol
LogP2.33
Rot. Bonds3

About 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 124958655) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID124958655
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@H]3CCCN3C(=O)C3CCOCC3)ccc2c1N
InChIInChI=1S/C19H24N4O3S/c1-21-17(24)16-15(20)12-4-5-13(22-18(12)27-16)14-3-2-8-23(14)19(25)11-6-9-26-10-7-11/h4-5,11,14H,2-3,6-10,20H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyGHWTZLMTFNDTAZ-CQSZACIVSA-N
XLogP2.33
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 124958655) is 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc([C@H]3CCCN3C(=O)C3CCOCC3)ccc2c1N.
What is the InChIKey of 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GHWTZLMTFNDTAZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-21-17(24)16-15(20)12-4-5-13(22-18(12)27-16)14-3-2-8-23(14)19(25)11-6-9-26-10-7-11/h4-5,11,14H,2-3,6-10,20H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 124958655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).