4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide

C22H21FN4O3S — CID 163390757

IUPAC4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(CCC23CC2(O)C3)s1
InChIInChI=1S/C22H21FN4O3S/c1-12-8-13(18-15(23)4-3-5-16(18)30-2)14(9-24-12)19(28)25-20-27-26-17(31-20)6-7-21-10-22(21,29)11-21/h3-5,8-9,29H,6-7,10-11H2,1-2H3,(H,25,27,28)
InChIKeyYHPAREVXBZPLAB-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.77
Rot. Bonds7

About 4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide

4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 163390757) has the molecular formula C22H21FN4O3S and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
PubChem CID163390757
Molecular FormulaC22H21FN4O3S
Molecular Weight440.50 g/mol
Exact Mass440.13
IUPAC Name4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(CCC23CC2(O)C3)s1
InChIInChI=1S/C22H21FN4O3S/c1-12-8-13(18-15(23)4-3-5-16(18)30-2)14(9-24-12)19(28)25-20-27-26-17(31-20)6-7-21-10-22(21,29)11-21/h3-5,8-9,29H,6-7,10-11H2,1-2H3,(H,25,27,28)
InChIKeyYHPAREVXBZPLAB-UHFFFAOYSA-N
XLogP3.77
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 163390757) is 4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide is COc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(CCC23CC2(O)C3)s1.
What is the InChIKey of 4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is YHPAREVXBZPLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3S/c1-12-8-13(18-15(23)4-3-5-16(18)30-2)14(9-24-12)19(28)25-20-27-26-17(31-20)6-7-21-10-22(21,29)11-21/h3-5,8-9,29H,6-7,10-11H2,1-2H3,(H,25,27,28).
What are the key properties of 4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?
4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methoxyphenyl)-N-[5-[2-(3-hydroxy-1-bicyclo[1.1.0]butanyl)ethyl]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 163390757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).