6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C20H23N3O2S — CID 3293195

IUPAC6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCN1CCc2c(sc(NC(=O)c3ccc4c(c3)CCCC4)c2C(N)=O)C1
InChIInChI=1S/C20H23N3O2S/c1-23-9-8-15-16(11-23)26-20(17(15)18(21)24)22-19(25)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10H,2-5,8-9,11H2,1H3,(H2,21,24)(H,22,25)
InChIKeyWKMSEJJRBPNYQU-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.97
Rot. Bonds3

About 6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 3293195) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID3293195
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCN1CCc2c(sc(NC(=O)c3ccc4c(c3)CCCC4)c2C(N)=O)C1
InChIInChI=1S/C20H23N3O2S/c1-23-9-8-15-16(11-23)26-20(17(15)18(21)24)22-19(25)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10H,2-5,8-9,11H2,1H3,(H2,21,24)(H,22,25)
InChIKeyWKMSEJJRBPNYQU-UHFFFAOYSA-N
XLogP2.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 3293195) is 6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CN1CCc2c(sc(NC(=O)c3ccc4c(c3)CCCC4)c2C(N)=O)C1.
What is the InChIKey of 6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is WKMSEJJRBPNYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-23-9-8-15-16(11-23)26-20(17(15)18(21)24)22-19(25)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10H,2-5,8-9,11H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of 6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3293195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).