N-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide

C14H14N2O2S — CID 130283141

IUPACN-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide
SMILESCOc1cccc(NC(=O)C2=CC(C)=C3CC3S2)n1
InChIInChI=1S/C14H14N2O2S/c1-8-6-11(19-10-7-9(8)10)14(17)16-12-4-3-5-13(15-12)18-2/h3-6,10H,7H2,1-2H3,(H,15,16,17)
InChIKeyRNVIBHVDHPHVTB-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.75
Rot. Bonds3

About N-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide

N-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide (PubChem CID 130283141) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide
PubChem CID130283141
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide
SMILESCOc1cccc(NC(=O)C2=CC(C)=C3CC3S2)n1
InChIInChI=1S/C14H14N2O2S/c1-8-6-11(19-10-7-9(8)10)14(17)16-12-4-3-5-13(15-12)18-2/h3-6,10H,7H2,1-2H3,(H,15,16,17)
InChIKeyRNVIBHVDHPHVTB-UHFFFAOYSA-N
XLogP2.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide with MolForge

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Related Compounds

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methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate
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CID 71469016
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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide?
The IUPAC name of N-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide (CID 130283141) is N-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide?
The canonical SMILES for N-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide is COc1cccc(NC(=O)C2=CC(C)=C3CC3S2)n1.
What is the InChIKey of N-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide?
The InChIKey is RNVIBHVDHPHVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-8-6-11(19-10-7-9(8)10)14(17)16-12-4-3-5-13(15-12)18-2/h3-6,10H,7H2,1-2H3,(H,15,16,17).
What are the key properties of N-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide?
N-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-pyridinyl)-5-methyl-2-thiabicyclo[4.1.0]hepta-3,5-diene-3-carboxamide is sourced from PubChem (CID 130283141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).