6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C14H17N3O3S — CID 4623325

IUPAC6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1
InChIInChI=1S/C14H17N3O3S/c1-7(18)17-5-4-9-10(6-17)21-14(11(9)12(15)19)16-13(20)8-2-3-8/h8H,2-6H2,1H3,(H2,15,19)(H,16,20)
InChIKeyZQMQNMBAKOFIIJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.10
Rot. Bonds3

About 6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4623325) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID4623325
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1
InChIInChI=1S/C14H17N3O3S/c1-7(18)17-5-4-9-10(6-17)21-14(11(9)12(15)19)16-13(20)8-2-3-8/h8H,2-6H2,1H3,(H2,15,19)(H,16,20)
InChIKeyZQMQNMBAKOFIIJ-UHFFFAOYSA-N
XLogP1.10
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4623325) is 6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1.
What is the InChIKey of 6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is ZQMQNMBAKOFIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-7(18)17-5-4-9-10(6-17)21-14(11(9)12(15)19)16-13(20)8-2-3-8/h8H,2-6H2,1H3,(H2,15,19)(H,16,20).
What are the key properties of 6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4623325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).