N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide

C19H19N7OS — CID 10111176

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide (PubChem CID 10111176) has the molecular formula C19H19N7OS and a molecular weight of 393.48 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
• PubChem CID: 10111176
• Molecular Formula: C19H19N7OS
• Molecular Weight: 393.48 g/mol
• Exact Mass: 393.14
• IUPAC Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
• SMILES: CC(C)(C)c1nnc(NC(=O)c2cccnc2Nc2ccc3cn[nH]c3c2)s1
• InChI: InChI=1S/C19H19N7OS/c1-19(2,3)17-25-26-18(28-17)23-16(27)13-5-4-8-20-15(13)22-12-7-6-11-10-21-24-14(11)9-12/h4-10H,1-3H3,(H,20,22)(H,21,24)(H,23,26,27)
• InChIKey: MTNMCUMIEOXOGT-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 108.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.48
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide (CID 10111176) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide is CC(C)(C)c1nnc(NC(=O)c2cccnc2Nc2ccc3cn[nH]c3c2)s1.

What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

The InChIKey is MTNMCUMIEOXOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7OS/c1-19(2,3)17-25-26-18(28-17)23-16(27)13-5-4-8-20-15(13)22-12-7-6-11-10-21-24-14(11)9-12/h4-10H,1-3H3,(H,20,22)(H,21,24)(H,23,26,27).

What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide has a molecular weight of 393.48 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10111176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).