4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide

C19H18FN5O4S — CID 166163492

IUPAC4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESCOc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OC2COC2)s1
InChIInChI=1S/C19H18FN5O4S/c1-9-4-12(15-14(27-3)6-22-10(2)16(15)20)13(5-21-9)17(26)23-18-24-25-19(30-18)29-11-7-28-8-11/h4-6,11H,7-8H2,1-3H3,(H,23,24,26)
InChIKeyHUKAZYTWHXTSNL-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.79
Rot. Bonds6

About 4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide

4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (PubChem CID 166163492) has the molecular formula C19H18FN5O4S and a molecular weight of 431.45 g/mol. Its IUPAC name is 4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
PubChem CID166163492
Molecular FormulaC19H18FN5O4S
Molecular Weight431.45 g/mol
Exact Mass431.11
IUPAC Name4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESCOc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OC2COC2)s1
InChIInChI=1S/C19H18FN5O4S/c1-9-4-12(15-14(27-3)6-22-10(2)16(15)20)13(5-21-9)17(26)23-18-24-25-19(30-18)29-11-7-28-8-11/h4-6,11H,7-8H2,1-3H3,(H,23,24,26)
InChIKeyHUKAZYTWHXTSNL-UHFFFAOYSA-N
XLogP2.79
TPSA108.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (CID 166163492) is 4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is COc1cnc(C)c(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OC2COC2)s1.
What is the InChIKey of 4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is HUKAZYTWHXTSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O4S/c1-9-4-12(15-14(27-3)6-22-10(2)16(15)20)13(5-21-9)17(26)23-18-24-25-19(30-18)29-11-7-28-8-11/h4-6,11H,7-8H2,1-3H3,(H,23,24,26).
What are the key properties of 4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 166163492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).