N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide

C16H18FN3O3S — CID 118613025

IUPACN-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
SMILESCc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Nc2nc(CF)cs2)n1
InChIInChI=1S/C16H18FN3O3S/c1-9-3-12(23-13-4-10(2)22-7-13)5-14(18-9)15(21)20-16-19-11(6-17)8-24-16/h3,5,8,10,13H,4,6-7H2,1-2H3,(H,19,20,21)/t10-,13-/m1/s1
InChIKeyMAHVDJRRRWDFAA-ZWNOBZJWSA-N
MW351.40 g/mol
LogP3.12
Rot. Bonds5

About N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide

N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide (PubChem CID 118613025) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
PubChem CID118613025
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC NameN-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
SMILESCc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Nc2nc(CF)cs2)n1
InChIInChI=1S/C16H18FN3O3S/c1-9-3-12(23-13-4-10(2)22-7-13)5-14(18-9)15(21)20-16-19-11(6-17)8-24-16/h3,5,8,10,13H,4,6-7H2,1-2H3,(H,19,20,21)/t10-,13-/m1/s1
InChIKeyMAHVDJRRRWDFAA-ZWNOBZJWSA-N
XLogP3.12
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide (CID 118613025) is N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide is Cc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Nc2nc(CF)cs2)n1.
What is the InChIKey of N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
The InChIKey is MAHVDJRRRWDFAA-ZWNOBZJWSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-9-3-12(23-13-4-10(2)22-7-13)5-14(18-9)15(21)20-16-19-11(6-17)8-24-16/h3,5,8,10,13H,4,6-7H2,1-2H3,(H,19,20,21)/t10-,13-/m1/s1.
What are the key properties of N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 118613025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).