N-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide

C19H21N3O3S — CID 70987505

IUPACN-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide
SMILESCOCCC(=O)N1CCC2=C(C1)SC(NC(=O)c1ccccc1)C2C#N
InChIInChI=1S/C19H21N3O3S/c1-25-10-8-17(23)22-9-7-14-15(11-20)19(26-16(14)12-22)21-18(24)13-5-3-2-4-6-13/h2-6,15,19H,7-10,12H2,1H3,(H,21,24)
InChIKeyMEFYCFKIYSOHCS-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.15
Rot. Bonds5

About N-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide

N-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide (PubChem CID 70987505) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide
PubChem CID70987505
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide
SMILESCOCCC(=O)N1CCC2=C(C1)SC(NC(=O)c1ccccc1)C2C#N
InChIInChI=1S/C19H21N3O3S/c1-25-10-8-17(23)22-9-7-14-15(11-20)19(26-16(14)12-22)21-18(24)13-5-3-2-4-6-13/h2-6,15,19H,7-10,12H2,1H3,(H,21,24)
InChIKeyMEFYCFKIYSOHCS-UHFFFAOYSA-N
XLogP2.15
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide?
The IUPAC name of N-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide (CID 70987505) is N-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide.
What is the SMILES notation for N-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide?
The canonical SMILES for N-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide is COCCC(=O)N1CCC2=C(C1)SC(NC(=O)c1ccccc1)C2C#N.
What is the InChIKey of N-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide?
The InChIKey is MEFYCFKIYSOHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-25-10-8-17(23)22-9-7-14-15(11-20)19(26-16(14)12-22)21-18(24)13-5-3-2-4-6-13/h2-6,15,19H,7-10,12H2,1H3,(H,21,24).
What are the key properties of N-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide?
N-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide has a molecular weight of 371.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-6-(3-methoxypropanoyl)-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 70987505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).