N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid

C46H44N6O5S — CID 160525731

IUPACN-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid
SMILESCOc1ccc(C)cc1-c1ccc(NC(=O)c2ccncc2C)cc1.Cc1ccc(C)c(-c2ccc(NC(=O)c3ccncc3C)cc2)c1.Cc1nnsc1C(=O)O
InChIInChI=1S/C21H20N2O2.C21H20N2O.C4H4N2O2S/c1-14-4-9-20(25-3)19(12-14)16-5-7-17(8-6-16)23-21(24)18-10-11-22-13-15(18)2;1-14-4-5-15(2)20(12-14)17-6-8-18(9-7-17)23-21(24)19-10-11-22-13-16(19)3;1-2-3(4(7)8)9-6-5-2/h4-13H,1-3H3,(H,23,24);4-13H,1-3H3,(H,23,24);1H3,(H,7,8)
InChIKeyQUWAKTXXQJESRG-UHFFFAOYSA-N
MW792.96 g/mol
LogP10.10
Rot. Bonds8

About N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid

N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid (PubChem CID 160525731) has the molecular formula C46H44N6O5S and a molecular weight of 792.96 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid
PubChem CID160525731
Molecular FormulaC46H44N6O5S
Molecular Weight792.96 g/mol
Exact Mass792.31
IUPAC NameN-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid
SMILESCOc1ccc(C)cc1-c1ccc(NC(=O)c2ccncc2C)cc1.Cc1ccc(C)c(-c2ccc(NC(=O)c3ccncc3C)cc2)c1.Cc1nnsc1C(=O)O
InChIInChI=1S/C21H20N2O2.C21H20N2O.C4H4N2O2S/c1-14-4-9-20(25-3)19(12-14)16-5-7-17(8-6-16)23-21(24)18-10-11-22-13-15(18)2;1-14-4-5-15(2)20(12-14)17-6-8-18(9-7-17)23-21(24)19-10-11-22-13-16(19)3;1-2-3(4(7)8)9-6-5-2/h4-13H,1-3H3,(H,23,24);4-13H,1-3H3,(H,23,24);1H3,(H,7,8)
InChIKeyQUWAKTXXQJESRG-UHFFFAOYSA-N
XLogP10.10
TPSA156.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.96
LogP ≤ 510.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[2-(dimethylamino)-5-(trifluoromethoxy)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide;3-methylpyridine-4-carboxylic acid
CID 161378190
3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide
CID 143518217
3-methyl-N-[4-[2-methyl-5-(1,3-oxazol-4-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 11559715
3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 146926080
N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
3-[4-(dimethylamino)-3-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]phenoxy]propanoic acid
CID 11750484
N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 53080300
4-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 81227052
5-[(2-methoxy-5-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63154692
3-hydroxy-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 81442907
2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
CID 112532788

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid?
The IUPAC name of N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid (CID 160525731) is N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid is COc1ccc(C)cc1-c1ccc(NC(=O)c2ccncc2C)cc1.Cc1ccc(C)c(-c2ccc(NC(=O)c3ccncc3C)cc2)c1.Cc1nnsc1C(=O)O.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid?
The InChIKey is QUWAKTXXQJESRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2.C21H20N2O.C4H4N2O2S/c1-14-4-9-20(25-3)19(12-14)16-5-7-17(8-6-16)23-21(24)18-10-11-22-13-15(18)2;1-14-4-5-15(2)20(12-14)17-6-8-18(9-7-17)23-21(24)19-10-11-22-13-16(19)3;1-2-3(4(7)8)9-6-5-2/h4-13H,1-3H3,(H,23,24);4-13H,1-3H3,(H,23,24);1H3,(H,7,8).
What are the key properties of N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid?
N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid has a molecular weight of 792.96 g/mol, XLogP of 10.10, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid is sourced from PubChem (CID 160525731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).