N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide

C16H14N4O4S — CID 86266905

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1noc(-c2c(NC(=O)c3ccc(=O)[nH]c3)sc3c2CCOC3)n1
InChIInChI=1S/C16H14N4O4S/c1-8-18-15(24-20-8)13-10-4-5-23-7-11(10)25-16(13)19-14(22)9-2-3-12(21)17-6-9/h2-3,6H,4-5,7H2,1H3,(H,17,21)(H,19,22)
InChIKeyMLTJUDMTCYSCKM-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.12
Rot. Bonds3

About N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 86266905) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID86266905
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1noc(-c2c(NC(=O)c3ccc(=O)[nH]c3)sc3c2CCOC3)n1
InChIInChI=1S/C16H14N4O4S/c1-8-18-15(24-20-8)13-10-4-5-23-7-11(10)25-16(13)19-14(22)9-2-3-12(21)17-6-9/h2-3,6H,4-5,7H2,1H3,(H,17,21)(H,19,22)
InChIKeyMLTJUDMTCYSCKM-UHFFFAOYSA-N
XLogP2.12
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

2-[3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-ylcarbamoyl]-cyclohex-1-enecarboxylic acid
CID 72734396
2-[3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-ylcarbamoyl]-cyclopent-1-enecarboxylic acid
CID 72734420
US9604977, Example 119
CID 72734422
2-[3-(3-Isopropyl-[1,2,4]oxadiazol-5-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-ylcarbamoyl]-cyclopent-1-enecarboxylic acid
CID 72734639
2-((4-fluorophenyl)thio)-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)acetamide
CID 86266918
2-{3-[3-(2-Methoxy-ethyl)-[1,2,4]oxadiazol-5-yl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-ylcarbamoyl}-cyclohex-1-enecarboxylic acid
CID 118158743
N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 86266906
2-(2,5-dioxopyrrolidin-1-yl)-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)acetamide
CID 86266919
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H,5H,7H-thieno[2,3-c]pyran-2-yl]-2-(trifluoromethyl)benzamide
CID 86266911
3-(3-trifluoromethyl-[1,2,4]oxadiazol-5-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-ylamine
CID 118158529
carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide
CID 121281345
carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide
CID 121281464

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 86266905) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide is Cc1noc(-c2c(NC(=O)c3ccc(=O)[nH]c3)sc3c2CCOC3)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MLTJUDMTCYSCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-8-18-15(24-20-8)13-10-4-5-23-7-11(10)25-16(13)19-14(22)9-2-3-12(21)17-6-9/h2-3,6H,4-5,7H2,1H3,(H,17,21)(H,19,22).
What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 358.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 86266905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).