3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide

C23H20N4O3S — CID 155733083

IUPAC3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2cccc(C)c2)s1
InChIInChI=1S/C23H20N4O3S/c1-15-6-5-7-16(12-15)14-30-23-27-26-22(31-23)25-21(28)18-10-11-24-13-19(18)17-8-3-4-9-20(17)29-2/h3-13H,14H2,1-2H3,(H,25,26,28)
InChIKeyRUTOBMAQTOOSSR-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.75
Rot. Bonds7

About 3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide

3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (PubChem CID 155733083) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
PubChem CID155733083
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2cccc(C)c2)s1
InChIInChI=1S/C23H20N4O3S/c1-15-6-5-7-16(12-15)14-30-23-27-26-22(31-23)25-21(28)18-10-11-24-13-19(18)17-8-3-4-9-20(17)29-2/h3-13H,14H2,1-2H3,(H,25,26,28)
InChIKeyRUTOBMAQTOOSSR-UHFFFAOYSA-N
XLogP4.75
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 175679881
N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155353937
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155342632
N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide
CID 155353663
3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 176555695
N-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 170550705
N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide;ethane
CID 176555684
N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 168984844
N-[5-[3-[(3E)-hexa-1,3,5-trien-3-yl]oxyprop-1-ynyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 176555687
N-[5-[[5-(1-cyanocyclopropyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 155342518
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 155353814
2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide
CID 166163292

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (CID 155733083) is 3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is COc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2cccc(C)c2)s1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is RUTOBMAQTOOSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-15-6-5-7-16(12-15)14-30-23-27-26-22(31-23)25-21(28)18-10-11-24-13-19(18)17-8-3-4-9-20(17)29-2/h3-13H,14H2,1-2H3,(H,25,26,28).
What are the key properties of 3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 155733083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).