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

C23H25N5O2S — CID 40602388

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

N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide (PubChem CID 40602388) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
• PubChem CID: 40602388
• Molecular Formula: C23H25N5O2S
• Molecular Weight: 435.55 g/mol
• Exact Mass: 435.17
• IUPAC Name: N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
• SMILES: CCc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)c1
• InChI: InChI=1S/C23H25N5O2S/c1-2-16-7-5-11-19(13-16)28(23(30)20-15-31-27-26-20)21(17-8-6-12-24-14-17)22(29)25-18-9-3-4-10-18/h5-8,11-15,18,21H,2-4,9-10H2,1H3,(H,25,29)/t21-/m1/s1
• InChIKey: DFOQEDMIKUPMJV-OAQYLSRUSA-N
• XLogP: 3.94
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.55
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide (CID 40602388) is N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide.

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

The canonical SMILES for N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide is CCc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)c1.

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

The InChIKey is DFOQEDMIKUPMJV-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-2-16-7-5-11-19(13-16)28(23(30)20-15-31-27-26-20)21(17-8-6-12-24-14-17)22(29)25-18-9-3-4-10-18/h5-8,11-15,18,21H,2-4,9-10H2,1H3,(H,25,29)/t21-/m1/s1.

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

N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 40602388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).