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

C26H29N7O2S — CID 121407638

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

5-(dimethylamino)-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 121407638) has the molecular formula C26H29N7O2S and a molecular weight of 503.63 g/mol. Its IUPAC name is 5-(dimethylamino)-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(dimethylamino)-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 121407638
• Molecular Formula: C26H29N7O2S
• Molecular Weight: 503.63 g/mol
• Exact Mass: 503.21
• IUPAC Name: 5-(dimethylamino)-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• SMILES: CN(C)CCC(Oc1ncc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1N(C)C)c1ccccc1
• InChI: InChI=1S/C26H29N7O2S/c1-32(2)15-12-22(18-8-6-5-7-9-18)35-24-21(33(3)4)16-20(17-28-24)23(34)29-26-31-30-25(36-26)19-10-13-27-14-11-19/h5-11,13-14,16-17,22H,12,15H2,1-4H3,(H,29,31,34)
• InChIKey: UYICBVBYXRYJDJ-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 96.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.63
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of 5-(dimethylamino)-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 121407638) is 5-(dimethylamino)-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 5-(dimethylamino)-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 5-(dimethylamino)-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CN(C)CCC(Oc1ncc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1N(C)C)c1ccccc1.

What is the InChIKey of 5-(dimethylamino)-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The InChIKey is UYICBVBYXRYJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2S/c1-32(2)15-12-22(18-8-6-5-7-9-18)35-24-21(33(3)4)16-20(17-28-24)23(34)29-26-31-30-25(36-26)19-10-13-27-14-11-19/h5-11,13-14,16-17,22H,12,15H2,1-4H3,(H,29,31,34).

What are the key properties of 5-(dimethylamino)-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

5-(dimethylamino)-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 503.63 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(dimethylamino)-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121407638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).