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

C20H27N5O2S — CID 110098699

IUPAC3-amino-N-methyl-6-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc(C3CCCN3C(=O)C3CCN(C)CC3)ccc2c1N
InChIInChI=1S/C20H27N5O2S/c1-22-18(26)17-16(21)13-5-6-14(23-19(13)28-17)15-4-3-9-25(15)20(27)12-7-10-24(2)11-8-12/h5-6,12,15H,3-4,7-11,21H2,1-2H3,(H,22,26)
InChIKeyOBIHJAJFZYCYLS-UHFFFAOYSA-N
MW401.54 g/mol
LogP2.24
Rot. Bonds3

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

3-amino-N-methyl-6-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110098699) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-6-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID110098699
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC Name3-amino-N-methyl-6-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc(C3CCCN3C(=O)C3CCN(C)CC3)ccc2c1N
InChIInChI=1S/C20H27N5O2S/c1-22-18(26)17-16(21)13-5-6-14(23-19(13)28-17)15-4-3-9-25(15)20(27)12-7-10-24(2)11-8-12/h5-6,12,15H,3-4,7-11,21H2,1-2H3,(H,22,26)
InChIKeyOBIHJAJFZYCYLS-UHFFFAOYSA-N
XLogP2.24
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.24
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-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-6-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 110098699) is 3-amino-N-methyl-6-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-6-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-6-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc(C3CCCN3C(=O)C3CCN(C)CC3)ccc2c1N.
What is the InChIKey of 3-amino-N-methyl-6-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is OBIHJAJFZYCYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-22-18(26)17-16(21)13-5-6-14(23-19(13)28-17)15-4-3-9-25(15)20(27)12-7-10-24(2)11-8-12/h5-6,12,15H,3-4,7-11,21H2,1-2H3,(H,22,26).
What are the key properties of 3-amino-N-methyl-6-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-methyl-6-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 401.54 g/mol, XLogP of 2.24, 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-[1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110098699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).