N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide

C23H25N5O2S — CID 3805319

About N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide (PubChem CID 3805319) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
• PubChem CID: 3805319
• Molecular Formula: C23H25N5O2S
• Molecular Weight: 435.55 g/mol
• Exact Mass: 435.17
• IUPAC Name: N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
• SMILES: Cc1ccc(N(C(=O)c2csnn2)C(C(=O)NC2CCCC2)c2cccnc2)cc1C
• InChI: InChI=1S/C23H25N5O2S/c1-15-9-10-19(12-16(15)2)28(23(30)20-14-31-27-26-20)21(17-6-5-11-24-13-17)22(29)25-18-7-3-4-8-18/h5-6,9-14,18,21H,3-4,7-8H2,1-2H3,(H,25,29)
• InChIKey: HRCHIMPDKYPWPE-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.55
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide?

The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide (CID 3805319) is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide.

What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide?

The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide is Cc1ccc(N(C(=O)c2csnn2)C(C(=O)NC2CCCC2)c2cccnc2)cc1C.

What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide?

The InChIKey is HRCHIMPDKYPWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-15-9-10-19(12-16(15)2)28(23(30)20-14-31-27-26-20)21(17-6-5-11-24-13-17)22(29)25-18-7-3-4-8-18/h5-6,9-14,18,21H,3-4,7-8H2,1-2H3,(H,25,29).

What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide?

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3805319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).