6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide

C18H17N5O3S — CID 92634575

About 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide

6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide (PubChem CID 92634575) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
• PubChem CID: 92634575
• Molecular Formula: C18H17N5O3S
• Molecular Weight: 383.43 g/mol
• Exact Mass: 383.11
• IUPAC Name: 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
• SMILES: C[C@H](NC(=O)c1ccc(=O)n(CC(=O)Nc2nccs2)c1)c1ccccn1
• InChI: InChI=1S/C18H17N5O3S/c1-12(14-4-2-3-7-19-14)21-17(26)13-5-6-16(25)23(10-13)11-15(24)22-18-20-8-9-27-18/h2-10,12H,11H2,1H3,(H,21,26)(H,20,22,24)/t12-/m0/s1
• InChIKey: RSKVDVHKSHTYQB-LBPRGKRZSA-N
• XLogP: 1.83
• TPSA: 105.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.43
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide?

The IUPAC name of 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide (CID 92634575) is 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide?

The canonical SMILES for 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide is C[C@H](NC(=O)c1ccc(=O)n(CC(=O)Nc2nccs2)c1)c1ccccn1.

What is the InChIKey of 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide?

The InChIKey is RSKVDVHKSHTYQB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-12(14-4-2-3-7-19-14)21-17(26)13-5-6-16(25)23(10-13)11-15(24)22-18-20-8-9-27-18/h2-10,12H,11H2,1H3,(H,21,26)(H,20,22,24)/t12-/m0/s1.

What are the key properties of 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide?

6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 92634575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).