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

C20H26N4O2S — CID 124963286

IUPAC3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@H]3CCCN3C(=O)C3CCCCC3)ccc2c1N
InChIInChI=1S/C20H26N4O2S/c1-22-18(25)17-16(21)13-9-10-14(23-19(13)27-17)15-8-5-11-24(15)20(26)12-6-3-2-4-7-12/h9-10,12,15H,2-8,11,21H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyHOYZMVDTBKEYGQ-OAHLLOKOSA-N
MW386.52 g/mol
LogP3.48
Rot. Bonds3

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

3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 124963286) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID124963286
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@H]3CCCN3C(=O)C3CCCCC3)ccc2c1N
InChIInChI=1S/C20H26N4O2S/c1-22-18(25)17-16(21)13-9-10-14(23-19(13)27-17)15-8-5-11-24(15)20(26)12-6-3-2-4-7-12/h9-10,12,15H,2-8,11,21H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyHOYZMVDTBKEYGQ-OAHLLOKOSA-N
XLogP3.48
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.48
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
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3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
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3-amino-N-methyl-6-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124951356
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CID 110098684
3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
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3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
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3-amino-6-[(2R)-1-(2-fluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
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3-amino-N-methyl-6-[(2R)-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
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3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (CID 124963286) is 3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc([C@H]3CCCN3C(=O)C3CCCCC3)ccc2c1N.
What is the InChIKey of 3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HOYZMVDTBKEYGQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-22-18(25)17-16(21)13-9-10-14(23-19(13)27-17)15-8-5-11-24(15)20(26)12-6-3-2-4-7-12/h9-10,12,15H,2-8,11,21H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of 3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 124963286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).