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

C13H17N3O3S — CID 4583251

IUPAC6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCC(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2
InChIInChI=1S/C13H17N3O3S/c1-3-10(18)15-13-11(12(14)19)8-4-5-16(7(2)17)6-9(8)20-13/h3-6H2,1-2H3,(H2,14,19)(H,15,18)
InChIKeyNNTCLQHKFGPCIW-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.10
Rot. Bonds3

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

6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4583251) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID4583251
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCC(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2
InChIInChI=1S/C13H17N3O3S/c1-3-10(18)15-13-11(12(14)19)8-4-5-16(7(2)17)6-9(8)20-13/h3-6H2,1-2H3,(H2,14,19)(H,15,18)
InChIKeyNNTCLQHKFGPCIW-UHFFFAOYSA-N
XLogP1.10
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-3-ethyl-2-thioxo-
CID 713448
2-Amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 611038
2-Amino-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 614439
4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-ethyl-2-thioxo-
CID 1550060
2-amino-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxamide
CID 757553
N-[3-Cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-isobutyramide
CID 828996
3-propyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2349018
2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 678521
6-Acetyl-2-amino-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carboxamide
CID 25219685
N-[3-Cyano-4-methyl-5-(piperidine-1-carbonyl)-thiophen-2-yl]-isobutyramide
CID 654813
2-((3-Ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
CID 934118
Methyl [4-ethyl-5-methyl-3-(1-piperidinylcarbonyl)-2-thienyl]carbamate
CID 1245049

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4583251) is 6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCC(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2.
What is the InChIKey of 6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is NNTCLQHKFGPCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-10(18)15-13-11(12(14)19)8-4-5-16(7(2)17)6-9(8)20-13/h3-6H2,1-2H3,(H2,14,19)(H,15,18).
What are the key properties of 6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 295.36 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-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4583251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).