3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

C20H27N3O3S — CID 98129506

IUPAC3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2ncccc2c1C1CCC(CNC(=O)CCOC)CC1
InChIInChI=1S/C20H27N3O3S/c1-21-19(25)18-17(15-4-3-10-22-20(15)27-18)14-7-5-13(6-8-14)12-23-16(24)9-11-26-2/h3-4,10,13-14H,5-9,11-12H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyVZTLZDPHLVLXOP-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.08
Rot. Bonds7

About 3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 98129506) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID98129506
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2ncccc2c1C1CCC(CNC(=O)CCOC)CC1
InChIInChI=1S/C20H27N3O3S/c1-21-19(25)18-17(15-4-3-10-22-20(15)27-18)14-7-5-13(6-8-14)12-23-16(24)9-11-26-2/h3-4,10,13-14H,5-9,11-12H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyVZTLZDPHLVLXOP-UHFFFAOYSA-N
XLogP3.08
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (CID 98129506) is 3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2ncccc2c1C1CCC(CNC(=O)CCOC)CC1.
What is the InChIKey of 3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VZTLZDPHLVLXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-21-19(25)18-17(15-4-3-10-22-20(15)27-18)14-7-5-13(6-8-14)12-23-16(24)9-11-26-2/h3-4,10,13-14H,5-9,11-12H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 98129506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).