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

C17H22N4O2S — CID 125012013

IUPAC6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@]3(C)CCCN(C(C)=O)C3)ccc2c1N
InChIInChI=1S/C17H22N4O2S/c1-10(22)21-8-4-7-17(2,9-21)12-6-5-11-13(18)14(15(23)19-3)24-16(11)20-12/h5-6H,4,7-9,18H2,1-3H3,(H,19,23)/t17-/m1/s1
InChIKeyVUNOESKSLWNKCF-QGZVFWFLSA-N
MW346.46 g/mol
LogP2.14
Rot. Bonds2

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

6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 125012013) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID125012013
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@]3(C)CCCN(C(C)=O)C3)ccc2c1N
InChIInChI=1S/C17H22N4O2S/c1-10(22)21-8-4-7-17(2,9-21)12-6-5-11-13(18)14(15(23)19-3)24-16(11)20-12/h5-6H,4,7-9,18H2,1-3H3,(H,19,23)/t17-/m1/s1
InChIKeyVUNOESKSLWNKCF-QGZVFWFLSA-N
XLogP2.14
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide (CID 125012013) is 6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc([C@]3(C)CCCN(C(C)=O)C3)ccc2c1N.
What is the InChIKey of 6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VUNOESKSLWNKCF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-10(22)21-8-4-7-17(2,9-21)12-6-5-11-13(18)14(15(23)19-3)24-16(11)20-12/h5-6H,4,7-9,18H2,1-3H3,(H,19,23)/t17-/m1/s1.
What are the key properties of 6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide?
6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 125012013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).