2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C16H19N3O3S — CID 108806511

IUPAC2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)Cn2c(C)cc(=O)cc2C)c(C(N)=O)c1C
InChIInChI=1S/C16H19N3O3S/c1-8-5-12(20)6-9(2)19(8)7-13(21)18-16-14(15(17)22)10(3)11(4)23-16/h5-6H,7H2,1-4H3,(H2,17,22)(H,18,21)
InChIKeyQOSVUVDCQMRQSU-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.88
Rot. Bonds4

About 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 108806511) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID108806511
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)Cn2c(C)cc(=O)cc2C)c(C(N)=O)c1C
InChIInChI=1S/C16H19N3O3S/c1-8-5-12(20)6-9(2)19(8)7-13(21)18-16-14(15(17)22)10(3)11(4)23-16/h5-6H,7H2,1-4H3,(H2,17,22)(H,18,21)
InChIKeyQOSVUVDCQMRQSU-UHFFFAOYSA-N
XLogP1.88
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 108806511) is 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)Cn2c(C)cc(=O)cc2C)c(C(N)=O)c1C.
What is the InChIKey of 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is QOSVUVDCQMRQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-8-5-12(20)6-9(2)19(8)7-13(21)18-16-14(15(17)22)10(3)11(4)23-16/h5-6H,7H2,1-4H3,(H2,17,22)(H,18,21).
What are the key properties of 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 108806511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).