N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-(hydroxymethyl)pyridine-3-carboxamide

C22H17ClFN5O4S — CID 155342337

About N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-(hydroxymethyl)pyridine-3-carboxamide

N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-(hydroxymethyl)pyridine-3-carboxamide (PubChem CID 155342337) has the molecular formula C22H17ClFN5O4S and a molecular weight of 501.93 g/mol. Its IUPAC name is N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-(hydroxymethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-(hydroxymethyl)pyridine-3-carboxamide
• PubChem CID: 155342337
• Molecular Formula: C22H17ClFN5O4S
• Molecular Weight: 501.93 g/mol
• Exact Mass: 501.07
• IUPAC Name: N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-(hydroxymethyl)pyridine-3-carboxamide
• SMILES: COc1cccc(F)c1-c1cc(CO)ncc1C(=O)Nc1nnc(OCc2ccc(Cl)cn2)s1
• InChI: InChI=1S/C22H17ClFN5O4S/c1-32-18-4-2-3-17(24)19(18)15-7-14(10-30)26-9-16(15)20(31)27-21-28-29-22(34-21)33-11-13-6-5-12(23)8-25-13/h2-9,30H,10-11H2,1H3,(H,27,28,31)
• InChIKey: WRYVLZSMAHSTIH-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 119.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.93
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-(hydroxymethyl)pyridine-3-carboxamide?

The IUPAC name of N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-(hydroxymethyl)pyridine-3-carboxamide (CID 155342337) is N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-(hydroxymethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-(hydroxymethyl)pyridine-3-carboxamide?

The canonical SMILES for N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-(hydroxymethyl)pyridine-3-carboxamide is COc1cccc(F)c1-c1cc(CO)ncc1C(=O)Nc1nnc(OCc2ccc(Cl)cn2)s1.

What is the InChIKey of N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-(hydroxymethyl)pyridine-3-carboxamide?

The InChIKey is WRYVLZSMAHSTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5O4S/c1-32-18-4-2-3-17(24)19(18)15-7-14(10-30)26-9-16(15)20(31)27-21-28-29-22(34-21)33-11-13-6-5-12(23)8-25-13/h2-9,30H,10-11H2,1H3,(H,27,28,31).

What are the key properties of N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-(hydroxymethyl)pyridine-3-carboxamide?

N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-(hydroxymethyl)pyridine-3-carboxamide has a molecular weight of 501.93 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-(hydroxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 155342337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).