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

C25H32N4O4 — CID 167335542

IUPACN-(1-bicyclo[1.1.1]pentanyl)-6-cyclopentyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC12CC(C1)C2)c1c(O)c2cc(C3CCCC3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C25H32N4O4/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/h11,15-17,30H,1-10,12-14H2,(H,27,31)
InChIKeyFCUORJBQBFTXNR-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.37
Rot. Bonds6

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

N-(1-bicyclo[1.1.1]pentanyl)-6-cyclopentyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 167335542) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-6-cyclopentyl-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-cyclopentyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID167335542
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-6-cyclopentyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC12CC(C1)C2)c1c(O)c2cc(C3CCCC3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C25H32N4O4/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/h11,15-17,30H,1-10,12-14H2,(H,27,31)
InChIKeyFCUORJBQBFTXNR-UHFFFAOYSA-N
XLogP2.37
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-6-cyclopentyl-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-cyclopentyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 167335542) is N-(1-bicyclo[1.1.1]pentanyl)-6-cyclopentyl-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-cyclopentyl-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-cyclopentyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC12CC(C1)C2)c1c(O)c2cc(C3CCCC3)cnc2n(CCN2CCOCC2)c1=O.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-6-cyclopentyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is FCUORJBQBFTXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/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/h11,15-17,30H,1-10,12-14H2,(H,27,31).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-6-cyclopentyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(1-bicyclo[1.1.1]pentanyl)-6-cyclopentyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 2.37, 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-cyclopentyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 167335542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).