3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

C17H21N3O3S — CID 118739855

IUPAC3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2ncccc2c1C1CCN(C(=O)CCOC)C1
InChIInChI=1S/C17H21N3O3S/c1-18-16(22)15-14(12-4-3-7-19-17(12)24-15)11-5-8-20(10-11)13(21)6-9-23-2/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,18,22)
InChIKeyWYWOVPYEPBIDDW-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.01
Rot. Bonds5

About 3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 118739855) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID118739855
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2ncccc2c1C1CCN(C(=O)CCOC)C1
InChIInChI=1S/C17H21N3O3S/c1-18-16(22)15-14(12-4-3-7-19-17(12)24-15)11-5-8-20(10-11)13(21)6-9-23-2/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,18,22)
InChIKeyWYWOVPYEPBIDDW-UHFFFAOYSA-N
XLogP2.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (CID 118739855) is 3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2ncccc2c1C1CCN(C(=O)CCOC)C1.
What is the InChIKey of 3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WYWOVPYEPBIDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-18-16(22)15-14(12-4-3-7-19-17(12)24-15)11-5-8-20(10-11)13(21)6-9-23-2/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,18,22).
What are the key properties of 3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 118739855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).