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

C25H32N4O4 — CID 167335609

IUPACN-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC12CC(C1)C2)c1c(O)c2cc(C3CCC3)cnc2n(CCN2CCC(O)CC2)c1=O
InChIInChI=1S/C25H32N4O4/c30-18-4-6-28(7-5-18)8-9-29-22-19(10-17(14-26-22)16-2-1-3-16)21(31)20(24(29)33)23(32)27-25-11-15(12-25)13-25/h10,14-16,18,30-31H,1-9,11-13H2,(H,27,32)
InChIKeyDCOYBYNEFCHANX-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.11
Rot. Bonds6

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

N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 167335609) 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-cyclobutyl-4-hydroxy-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID167335609
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC12CC(C1)C2)c1c(O)c2cc(C3CCC3)cnc2n(CCN2CCC(O)CC2)c1=O
InChIInChI=1S/C25H32N4O4/c30-18-4-6-28(7-5-18)8-9-29-22-19(10-17(14-26-22)16-2-1-3-16)21(31)20(24(29)33)23(32)27-25-11-15(12-25)13-25/h10,14-16,18,30-31H,1-9,11-13H2,(H,27,32)
InChIKeyDCOYBYNEFCHANX-UHFFFAOYSA-N
XLogP2.11
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{H}-1,7-naphthyridin-2-one
CID 156613431
N-cycloheptyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 60145526
4-hydroxy-N-((1s,4s)-4-methylcyclohexyl)-1-(2-morpholinoethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 118735891
4-hydroxy-1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118735893
6-[5-(1-hydroxy-2-methylpropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667638
6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-2-oxo-N-(spiro[3.3]heptan-2-yl)-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 166831134
6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholinoethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 166831220
6-(4-fluorophenyl)-4-hydroxy-N-((1r,3r)-3-methylcyclobutyl)-1-(2-morpholinoethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 166831224
6-(4-fluorophenyl)-N-(1-(4-fluorophenyl)ethyl)-4-hydroxy-1-(2-morpholinoethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 166831349
6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-2-oxo-N-(spiro[2.3]hexan-5-yl)-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 166831352
N-(bicyclo[2.2.2]octan-1-yl)-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 166831368
N-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 166831371

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 167335609) is N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-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-(4-hydroxypiperidin-1-yl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC12CC(C1)C2)c1c(O)c2cc(C3CCC3)cnc2n(CCN2CCC(O)CC2)c1=O.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is DCOYBYNEFCHANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c30-18-4-6-28(7-5-18)8-9-29-22-19(10-17(14-26-22)16-2-1-3-16)21(31)20(24(29)33)23(32)27-25-11-15(12-25)13-25/h10,14-16,18,30-31H,1-9,11-13H2,(H,27,32).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 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-(4-hydroxypiperidin-1-yl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 167335609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).