4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C21H28N4O4 — CID 167335719

About 4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 167335719) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 167335719
• Molecular Formula: C21H28N4O4
• Molecular Weight: 400.48 g/mol
• Exact Mass: 400.21
• IUPAC Name: 4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: C[C@H]1CCC(NC(=O)c2c(O)c3cccnc3n(CCN3CCOCC3)c2=O)C1
• InChI: InChI=1S/C21H28N4O4/c1-14-4-5-15(13-14)23-20(27)17-18(26)16-3-2-6-22-19(16)25(21(17)28)8-7-24-9-11-29-12-10-24/h2-3,6,14-15,26H,4-5,7-13H2,1H3,(H,23,27)/t14-,15?/m0/s1
• InChIKey: YQTNWRHRDPSOTJ-MLCCFXAWSA-N
• XLogP: 1.35
• TPSA: 96.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 167335719) is 4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is C[C@H]1CCC(NC(=O)c2c(O)c3cccnc3n(CCN3CCOCC3)c2=O)C1.

What is the InChIKey of 4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is YQTNWRHRDPSOTJ-MLCCFXAWSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-14-4-5-15(13-14)23-20(27)17-18(26)16-3-2-6-22-19(16)25(21(17)28)8-7-24-9-11-29-12-10-24/h2-3,6,14-15,26H,4-5,7-13H2,1H3,(H,23,27)/t14-,15?/m0/s1.

What are the key properties of 4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 167335719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).