4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane

C25H34ClN5O2S — CID 163391414

About 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane

4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane (PubChem CID 163391414) has the molecular formula C25H34ClN5O2S and a molecular weight of 504.10 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane.

Molecular Properties

• Compound Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane
• PubChem CID: 163391414
• Molecular Formula: C25H34ClN5O2S
• Molecular Weight: 504.10 g/mol
• Exact Mass: 503.21
• IUPAC Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane
• SMILES: CC.CCC1CCCC1.COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(C)s1
• InChI: InChI=1S/C16H14ClN5O2S.C7H14.C2H6/c1-8-4-10(11-5-14(17)19-7-13(11)24-3)12(6-18-8)15(23)20-16-22-21-9(2)25-16;1-2-7-5-3-4-6-7;1-2/h4-7H,1-3H3,(H,20,22,23);7H,2-6H2,1H3;1-2H3
• InChIKey: FZEKHOZNCLLVFY-UHFFFAOYSA-N
• XLogP: 7.14
• TPSA: 89.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.10
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane?

The IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane (CID 163391414) is 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane.

What is the SMILES notation for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane?

The canonical SMILES for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane is CC.CCC1CCCC1.COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(C)s1.

What is the InChIKey of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane?

The InChIKey is FZEKHOZNCLLVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2S.C7H14.C2H6/c1-8-4-10(11-5-14(17)19-7-13(11)24-3)12(6-18-8)15(23)20-16-22-21-9(2)25-16;1-2-7-5-3-4-6-7;1-2/h4-7H,1-3H3,(H,20,22,23);7H,2-6H2,1H3;1-2H3.

What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane?

4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane has a molecular weight of 504.10 g/mol, XLogP of 7.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane is sourced from PubChem (CID 163391414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).