6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C24H24N6O3S — CID 121407621

IUPAC6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2nnc(-c3ccncc3)s2)cnc1OC(CN(C)C)c1ccccc1
InChIInChI=1S/C24H24N6O3S/c1-30(2)15-20(16-7-5-4-6-8-16)33-22-19(32-3)13-18(14-26-22)21(31)27-24-29-28-23(34-24)17-9-11-25-12-10-17/h4-14,20H,15H2,1-3H3,(H,27,29,31)
InChIKeyBCSXWOAOAOIUBS-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.94
Rot. Bonds9

About 6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 121407621) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is 6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID121407621
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC Name6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2nnc(-c3ccncc3)s2)cnc1OC(CN(C)C)c1ccccc1
InChIInChI=1S/C24H24N6O3S/c1-30(2)15-20(16-7-5-4-6-8-16)33-22-19(32-3)13-18(14-26-22)21(31)27-24-29-28-23(34-24)17-9-11-25-12-10-17/h4-14,20H,15H2,1-3H3,(H,27,29,31)
InChIKeyBCSXWOAOAOIUBS-UHFFFAOYSA-N
XLogP3.94
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407469
5-(dimethylamino)-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407638
4-[3-(dimethylamino)-1-phenylpropoxy]-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 121407591
6-[(1S)-3-(dimethylamino)-1-phenylpropoxy]-5-(oxan-4-ylmethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407507
5-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407627
5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407459
5-methylsulfonyl-6-(1-phenyl-2-pyrrolidin-1-ylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121414932
3-methoxy-4-(2-morpholin-4-yl-1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 121407492
5-(4-methylpiperazin-1-yl)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407656
3-methoxy-4-[[methyl(pyridin-2-yl)amino]methyl]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 121407785
3-methoxy-N-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-[(1S)-1-phenylethoxy]benzamide
CID 121407489
3-methoxy-N-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-[(1S)-1-pyridin-3-ylethoxy]benzamide
CID 121407622

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 121407621) is 6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is COc1cc(C(=O)Nc2nnc(-c3ccncc3)s2)cnc1OC(CN(C)C)c1ccccc1.
What is the InChIKey of 6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is BCSXWOAOAOIUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-30(2)15-20(16-7-5-4-6-8-16)33-22-19(32-3)13-18(14-26-22)21(31)27-24-29-28-23(34-24)17-9-11-25-12-10-17/h4-14,20H,15H2,1-3H3,(H,27,29,31).
What are the key properties of 6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121407621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).