N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C24H30N4O4 — CID 167335705

IUPACN-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC12CC(C1)C2)c1c(O)c2cc(C3CCC3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C24H30N4O4/c29-20-18-10-17(16-2-1-3-16)14-25-21(18)28(5-4-27-6-8-32-9-7-27)23(31)19(20)22(30)26-24-11-15(12-24)13-24/h10,14-16,29H,1-9,11-13H2,(H,26,30)
InChIKeyBHCGWQZBKGKRRA-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.98
Rot. Bonds6

About N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 167335705) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID167335705
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC12CC(C1)C2)c1c(O)c2cc(C3CCC3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C24H30N4O4/c29-20-18-10-17(16-2-1-3-16)14-25-21(18)28(5-4-27-6-8-32-9-7-27)23(31)19(20)22(30)26-24-11-15(12-24)13-24/h10,14-16,29H,1-9,11-13H2,(H,26,30)
InChIKeyBHCGWQZBKGKRRA-UHFFFAOYSA-N
XLogP1.98
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-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 N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 167335705) is N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC12CC(C1)C2)c1c(O)c2cc(C3CCC3)cnc2n(CCN2CCOCC2)c1=O.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is BHCGWQZBKGKRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c29-20-18-10-17(16-2-1-3-16)14-25-21(18)28(5-4-27-6-8-32-9-7-27)23(31)19(20)22(30)26-24-11-15(12-24)13-24/h10,14-16,29H,1-9,11-13H2,(H,26,30).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 167335705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).