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

C32H51ClFN5O3S — CID 163390836

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

butane;4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;3-propoxypentane (PubChem CID 163390836) has the molecular formula C32H51ClFN5O3S and a molecular weight of 640.31 g/mol. Its IUPAC name is butane;4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;3-propoxypentane.

Molecular Properties

• Compound Name: butane;4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;3-propoxypentane
• PubChem CID: 163390836
• Molecular Formula: C32H51ClFN5O3S
• Molecular Weight: 640.31 g/mol
• Exact Mass: 639.34
• IUPAC Name: butane;4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;3-propoxypentane
• SMILES: CCCC.CCCC.CCCOC(CC)CC.COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(C)s1
• InChI: InChI=1S/C16H13ClFN5O2S.C8H18O.2C4H10/c1-7-4-9(12-11(25-3)6-20-14(17)13(12)18)10(5-19-7)15(24)21-16-23-22-8(2)26-16;1-4-7-9-8(5-2)6-3;2*1-3-4-2/h4-6H,1-3H3,(H,21,23,24);8H,4-7H2,1-3H3;2*3-4H2,1-2H3
• InChIKey: FEWWPFWAWWCYRX-UHFFFAOYSA-N
• XLogP: 9.88
• TPSA: 99.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.31
LogP ≤ 5	9.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of butane;4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;3-propoxypentane (CID 163390836) is butane;4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;3-propoxypentane.

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

The canonical SMILES for butane;4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;3-propoxypentane is CCCC.CCCC.CCCOC(CC)CC.COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(C)s1.

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

The InChIKey is FEWWPFWAWWCYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O2S.C8H18O.2C4H10/c1-7-4-9(12-11(25-3)6-20-14(17)13(12)18)10(5-19-7)15(24)21-16-23-22-8(2)26-16;1-4-7-9-8(5-2)6-3;2*1-3-4-2/h4-6H,1-3H3,(H,21,23,24);8H,4-7H2,1-3H3;2*3-4H2,1-2H3.

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

butane;4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;3-propoxypentane has a molecular weight of 640.31 g/mol, XLogP of 9.88, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for butane;4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;3-propoxypentane is sourced from PubChem (CID 163390836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).