N-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide

C28H26F2N4O3 — CID 139562568

IUPACN-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cn(-c2ccc(F)cc2F)c2nc(N3CCC3=O)ccc2c1=O
InChIInChI=1S/C28H26F2N4O3/c29-18-1-3-22(21(30)10-18)34-14-20(25(36)19-2-4-23(31-26(19)34)33-6-5-24(33)35)27(37)32-28-11-15-7-16(12-28)9-17(8-15)13-28/h1-4,10,14-17H,5-9,11-13H2,(H,32,37)
InChIKeyFBGWADMKNOXAMY-UHFFFAOYSA-N
MW504.54 g/mol
LogP4.10
Rot. Bonds4

About N-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide

N-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 139562568) has the molecular formula C28H26F2N4O3 and a molecular weight of 504.54 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide
PubChem CID139562568
Molecular FormulaC28H26F2N4O3
Molecular Weight504.54 g/mol
Exact Mass504.20
IUPAC NameN-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cn(-c2ccc(F)cc2F)c2nc(N3CCC3=O)ccc2c1=O
InChIInChI=1S/C28H26F2N4O3/c29-18-1-3-22(21(30)10-18)34-14-20(25(36)19-2-4-23(31-26(19)34)33-6-5-24(33)35)27(37)32-28-11-15-7-16(12-28)9-17(8-15)13-28/h1-4,10,14-17H,5-9,11-13H2,(H,32,37)
InChIKeyFBGWADMKNOXAMY-UHFFFAOYSA-N
XLogP4.10
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.54
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-adamantyl)-7-(aziridin-1-yl)-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135355002
N-(1-adamantyl)-1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135355066
N-(1-adamantyl)-1-(2,4-difluorophenyl)-7-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135354933
methyl 4-[6-(1-adamantylcarbamoyl)-8-(2,4-difluorophenyl)-5-oxo-1,8-naphthyridin-2-yl]piperazine-1-carboxylate
CID 139543977
N-(1-adamantyl)-7-(3-cyanopiperidin-1-yl)-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 139543998
methyl 4-[8-(2,4-difluorophenyl)-6-[(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)carbamoyl]-5-oxo-1,8-naphthyridin-2-yl]piperazine-1-carboxylate
CID 145203182
1-(2,4-difluorophenyl)-7-(2-hydroxyethylamino)-4-oxo-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)-1,8-naphthyridine-3-carboxamide
CID 155051232
1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 155237221
3-[2-(1-adamantyl)acetyl]-7-(3,3-difluoro-4,4-dihydroxypiperidin-1-yl)-1-(2,4-difluorophenyl)-1,8-naphthyridin-4-one
CID 157358143
1-(2,4-difluorophenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-3-[2-(3-methyl-3-bicyclo[3.3.1]nonanyl)acetyl]-1,8-naphthyridin-4-one
CID 157249794
1-(2-chloro-4-fluorophenyl)-N-(4,4-difluoro-1-adamantyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 139543989
1-(2,4-difluorophenyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-[2-(3-tricyclo[4.3.1.13,8]undecanyl)acetyl]-1,8-naphthyridin-4-one
CID 159746976

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide (CID 139562568) is N-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(-c2ccc(F)cc2F)c2nc(N3CCC3=O)ccc2c1=O.
What is the InChIKey of N-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is FBGWADMKNOXAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O3/c29-18-1-3-22(21(30)10-18)34-14-20(25(36)19-2-4-23(31-26(19)34)33-6-5-24(33)35)27(37)32-28-11-15-7-16(12-28)9-17(8-15)13-28/h1-4,10,14-17H,5-9,11-13H2,(H,32,37).
What are the key properties of N-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide?
N-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 504.54 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(2,4-difluorophenyl)-4-oxo-7-(2-oxoazetidin-1-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 139562568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).