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

C16H17F2N3O3S — CID 118612955

IUPACN-[4-(difluoromethyl)-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(C(F)F)cs2)n1
InChIInChI=1S/C16H17F2N3O3S/c1-8-3-10(24-11-4-9(2)23-6-11)5-12(19-8)15(22)21-16-20-13(7-25-16)14(17)18/h3,5,7,9,11,14H,4,6H2,1-2H3,(H,20,21,22)/t9-,11-/m1/s1
InChIKeyYYBMJUGXFMZSGD-MWLCHTKSSA-N
MW369.39 g/mol
LogP3.59
Rot. Bonds5

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

N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide (PubChem CID 118612955) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
PubChem CID118612955
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC NameN-[4-(difluoromethyl)-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(C(F)F)cs2)n1
InChIInChI=1S/C16H17F2N3O3S/c1-8-3-10(24-11-4-9(2)23-6-11)5-12(19-8)15(22)21-16-20-13(7-25-16)14(17)18/h3,5,7,9,11,14H,4,6H2,1-2H3,(H,20,21,22)/t9-,11-/m1/s1
InChIKeyYYBMJUGXFMZSGD-MWLCHTKSSA-N
XLogP3.59
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide (CID 118612955) is N-[4-(difluoromethyl)-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-(difluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethyl)-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(C(F)F)cs2)n1.
What is the InChIKey of N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
The InChIKey is YYBMJUGXFMZSGD-MWLCHTKSSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c1-8-3-10(24-11-4-9(2)23-6-11)5-12(19-8)15(22)21-16-20-13(7-25-16)14(17)18/h3,5,7,9,11,14H,4,6H2,1-2H3,(H,20,21,22)/t9-,11-/m1/s1.
What are the key properties of N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)-1,3-thiazol-2-yl]-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 118612955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).