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

C25H30N4O4 — CID 167335573

IUPACN-(1-bicyclo[1.1.1]pentanyl)-6-(cyclopenten-1-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC12CC(C1)C2)c1c(O)c2cc(C3=CCCC3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C25H30N4O4/c30-21-19-11-18(17-3-1-2-4-17)15-26-22(19)29(6-5-28-7-9-33-10-8-28)24(32)20(21)23(31)27-25-12-16(13-25)14-25/h3,11,15-16,30H,1-2,4-10,12-14H2,(H,27,31)
InChIKeyUQQWUZYOWZWTGE-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.28
Rot. Bonds6

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

N-(1-bicyclo[1.1.1]pentanyl)-6-(cyclopenten-1-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 167335573) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-6-(cyclopenten-1-yl)-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-(cyclopenten-1-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID167335573
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-6-(cyclopenten-1-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC12CC(C1)C2)c1c(O)c2cc(C3=CCCC3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C25H30N4O4/c30-21-19-11-18(17-3-1-2-4-17)15-26-22(19)29(6-5-28-7-9-33-10-8-28)24(32)20(21)23(31)27-25-12-16(13-25)14-25/h3,11,15-16,30H,1-2,4-10,12-14H2,(H,27,31)
InChIKeyUQQWUZYOWZWTGE-UHFFFAOYSA-N
XLogP2.28
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-bicyclo[1.1.1]pentanyl)-6-(cyclopenten-1-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-6-(cyclopenten-1-yl)-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-(cyclopenten-1-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 167335573) is N-(1-bicyclo[1.1.1]pentanyl)-6-(cyclopenten-1-yl)-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-(cyclopenten-1-yl)-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-(cyclopenten-1-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC12CC(C1)C2)c1c(O)c2cc(C3=CCCC3)cnc2n(CCN2CCOCC2)c1=O.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-6-(cyclopenten-1-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is UQQWUZYOWZWTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c30-21-19-11-18(17-3-1-2-4-17)15-26-22(19)29(6-5-28-7-9-33-10-8-28)24(32)20(21)23(31)27-25-12-16(13-25)14-25/h3,11,15-16,30H,1-2,4-10,12-14H2,(H,27,31).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-6-(cyclopenten-1-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(1-bicyclo[1.1.1]pentanyl)-6-(cyclopenten-1-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.28, 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-(cyclopenten-1-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 167335573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).