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

C21H16F2N6O3S — CID 177234942

IUPAC4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methyl-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1cnc(C(F)F)cc1-c1cc(-n2cccc(C)c2=O)ncc1C(=O)Nc1nncs1
InChIInChI=1S/C21H16F2N6O3S/c1-11-4-3-5-29(20(11)31)17-7-12(13-6-15(18(22)23)24-9-16(13)32-2)14(8-25-17)19(30)27-21-28-26-10-33-21/h3-10,18H,1-2H3,(H,27,28,30)
InChIKeySOCQUTAYGASKLP-UHFFFAOYSA-N
MW470.46 g/mol
LogP3.65
Rot. Bonds6

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

4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methyl-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 177234942) has the molecular formula C21H16F2N6O3S and a molecular weight of 470.46 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methyl-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methyl-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID177234942
Molecular FormulaC21H16F2N6O3S
Molecular Weight470.46 g/mol
Exact Mass470.10
IUPAC Name4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methyl-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1cnc(C(F)F)cc1-c1cc(-n2cccc(C)c2=O)ncc1C(=O)Nc1nncs1
InChIInChI=1S/C21H16F2N6O3S/c1-11-4-3-5-29(20(11)31)17-7-12(13-6-15(18(22)23)24-9-16(13)32-2)14(8-25-17)19(30)27-21-28-26-10-33-21/h3-10,18H,1-2H3,(H,27,28,30)
InChIKeySOCQUTAYGASKLP-UHFFFAOYSA-N
XLogP3.65
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methyl-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methyl-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 177234942) is 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methyl-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methyl-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methyl-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is COc1cnc(C(F)F)cc1-c1cc(-n2cccc(C)c2=O)ncc1C(=O)Nc1nncs1.
What is the InChIKey of 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methyl-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is SOCQUTAYGASKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O3S/c1-11-4-3-5-29(20(11)31)17-7-12(13-6-15(18(22)23)24-9-16(13)32-2)14(8-25-17)19(30)27-21-28-26-10-33-21/h3-10,18H,1-2H3,(H,27,28,30).
What are the key properties of 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methyl-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methyl-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 470.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methyl-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 177234942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).