3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

C17H22N4O2S — CID 110098684

IUPAC3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc(C3CCCN3C(=O)C(C)C)ccc2c1N
InChIInChI=1S/C17H22N4O2S/c1-9(2)17(23)21-8-4-5-12(21)11-7-6-10-13(18)14(15(22)19-3)24-16(10)20-11/h6-7,9,12H,4-5,8,18H2,1-3H3,(H,19,22)
InChIKeyZKWICNXMXVTZLU-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.56
Rot. Bonds3

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

3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110098684) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID110098684
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc(C3CCCN3C(=O)C(C)C)ccc2c1N
InChIInChI=1S/C17H22N4O2S/c1-9(2)17(23)21-8-4-5-12(21)11-7-6-10-13(18)14(15(22)19-3)24-16(10)20-11/h6-7,9,12H,4-5,8,18H2,1-3H3,(H,19,22)
InChIKeyZKWICNXMXVTZLU-UHFFFAOYSA-N
XLogP2.56
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 124983437
3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 124963286
3-amino-N-methyl-6-[1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 175657439
3-amino-N-methyl-6-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110098699
3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124958655
3-amino-N-methyl-6-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124951356
3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 125013566
3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 110110482
3-amino-6-[(2R)-1-(2-fluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 125017189
3-amino-6-[1-(2-methoxyethyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155983360
3-amino-N-methyl-6-[(2R)-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124962732
3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124948423

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 110098684) is 3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc(C3CCCN3C(=O)C(C)C)ccc2c1N.
What is the InChIKey of 3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZKWICNXMXVTZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-9(2)17(23)21-8-4-5-12(21)11-7-6-10-13(18)14(15(22)19-3)24-16(10)20-11/h6-7,9,12H,4-5,8,18H2,1-3H3,(H,19,22).
What are the key properties of 3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-6-[1-(2-methylpropanoyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110098684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).