N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3,3-dimethyl-2-oxopiperidin-1-yl)pyridine-3-carboxamide;ethane

C29H34F2N6O3S — CID 177235658

About N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3,3-dimethyl-2-oxopiperidin-1-yl)pyridine-3-carboxamide;ethane

N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3,3-dimethyl-2-oxopiperidin-1-yl)pyridine-3-carboxamide;ethane (PubChem CID 177235658) has the molecular formula C29H34F2N6O3S and a molecular weight of 584.69 g/mol. Its IUPAC name is N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3,3-dimethyl-2-oxopiperidin-1-yl)pyridine-3-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3,3-dimethyl-2-oxopiperidin-1-yl)pyridine-3-carboxamide;ethane
• PubChem CID: 177235658
• Molecular Formula: C29H34F2N6O3S
• Molecular Weight: 584.69 g/mol
• Exact Mass: 584.24
• IUPAC Name: N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3,3-dimethyl-2-oxopiperidin-1-yl)pyridine-3-carboxamide;ethane
• SMILES: CC.COc1cnc(C(F)F)cc1-c1cc(N2CCCC(C)(C)C2=O)ncc1C(=O)NC1=NNC(C#CC2CC2)S1
• InChI: InChI=1S/C27H28F2N6O3S.C2H6/c1-27(2)9-4-10-35(25(27)37)21-12-16(17-11-19(23(28)29)30-14-20(17)38-3)18(13-31-21)24(36)32-26-34-33-22(39-26)8-7-15-5-6-15;1-2/h11-15,22-23,33H,4-6,9-10H2,1-3H3,(H,32,34,36);1-2H3
• InChIKey: TZAIULCEDVPSDH-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 108.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.69
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3,3-dimethyl-2-oxopiperidin-1-yl)pyridine-3-carboxamide;ethane?

The IUPAC name of N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3,3-dimethyl-2-oxopiperidin-1-yl)pyridine-3-carboxamide;ethane (CID 177235658) is N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3,3-dimethyl-2-oxopiperidin-1-yl)pyridine-3-carboxamide;ethane.

What is the SMILES notation for N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3,3-dimethyl-2-oxopiperidin-1-yl)pyridine-3-carboxamide;ethane?

The canonical SMILES for N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3,3-dimethyl-2-oxopiperidin-1-yl)pyridine-3-carboxamide;ethane is CC.COc1cnc(C(F)F)cc1-c1cc(N2CCCC(C)(C)C2=O)ncc1C(=O)NC1=NNC(C#CC2CC2)S1.

What is the InChIKey of N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3,3-dimethyl-2-oxopiperidin-1-yl)pyridine-3-carboxamide;ethane?

The InChIKey is TZAIULCEDVPSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O3S.C2H6/c1-27(2)9-4-10-35(25(27)37)21-12-16(17-11-19(23(28)29)30-14-20(17)38-3)18(13-31-21)24(36)32-26-34-33-22(39-26)8-7-15-5-6-15;1-2/h11-15,22-23,33H,4-6,9-10H2,1-3H3,(H,32,34,36);1-2H3.

What are the key properties of N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3,3-dimethyl-2-oxopiperidin-1-yl)pyridine-3-carboxamide;ethane?

N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3,3-dimethyl-2-oxopiperidin-1-yl)pyridine-3-carboxamide;ethane has a molecular weight of 584.69 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3,3-dimethyl-2-oxopiperidin-1-yl)pyridine-3-carboxamide;ethane is sourced from PubChem (CID 177235658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).