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

C16H23N3O2S — CID 4520090

IUPAC2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCN1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1
InChIInChI=1S/C16H23N3O2S/c1-19-8-7-11-12(9-19)22-16(13(11)14(17)20)18-15(21)10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H2,17,20)(H,18,21)
InChIKeyPPHNPWPRFJALAM-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.35
Rot. Bonds3

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

2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4520090) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID4520090
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCN1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1
InChIInChI=1S/C16H23N3O2S/c1-19-8-7-11-12(9-19)22-16(13(11)14(17)20)18-15(21)10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H2,17,20)(H,18,21)
InChIKeyPPHNPWPRFJALAM-UHFFFAOYSA-N
XLogP2.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4520090) is 2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CN1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1.
What is the InChIKey of 2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is PPHNPWPRFJALAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-19-8-7-11-12(9-19)22-16(13(11)14(17)20)18-15(21)10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4520090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).