N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide

C22H25N5O2S — CID 3222198

About N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide

N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide (PubChem CID 3222198) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide
• PubChem CID: 3222198
• Molecular Formula: C22H25N5O2S
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.17
• IUPAC Name: N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide
• SMILES: CCC(C)(C)NC(=O)C(c1cccnc1)N(Cc1ccccc1)C(=O)c1csnn1
• InChI: InChI=1S/C22H25N5O2S/c1-4-22(2,3)24-20(28)19(17-11-8-12-23-13-17)27(14-16-9-6-5-7-10-16)21(29)18-15-30-26-25-18/h5-13,15,19H,4,14H2,1-3H3,(H,24,28)
• InChIKey: QTIWACPVJSFOEF-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide?

The IUPAC name of N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide (CID 3222198) is N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide.

What is the SMILES notation for N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide?

The canonical SMILES for N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide is CCC(C)(C)NC(=O)C(c1cccnc1)N(Cc1ccccc1)C(=O)c1csnn1.

What is the InChIKey of N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide?

The InChIKey is QTIWACPVJSFOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-4-22(2,3)24-20(28)19(17-11-8-12-23-13-17)27(14-16-9-6-5-7-10-16)21(29)18-15-30-26-25-18/h5-13,15,19H,4,14H2,1-3H3,(H,24,28).

What are the key properties of N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide?

N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3222198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).