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

C21H28N4O4 — CID 167335719

IUPAC4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESC[C@H]1CCC(NC(=O)c2c(O)c3cccnc3n(CCN3CCOCC3)c2=O)C1
InChIInChI=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
InChIKeyYQTNWRHRDPSOTJ-MLCCFXAWSA-N
MW400.48 g/mol
LogP1.35
Rot. Bonds5

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 Name4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID167335719
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESC[C@H]1CCC(NC(=O)c2c(O)c3cccnc3n(CCN3CCOCC3)c2=O)C1
InChIInChI=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
InChIKeyYQTNWRHRDPSOTJ-MLCCFXAWSA-N
XLogP1.35
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).