N-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide

C23H20F2N4O3 — CID 110172640

IUPACN-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESN#CC1(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)CCCCC1
InChIInChI=1S/C23H20F2N4O3/c24-16-5-4-6-17(25)14(16)11-29-12-15(21(31)20-18(29)7-8-19(30)27-20)22(32)28-23(13-26)9-2-1-3-10-23/h4-8,12H,1-3,9-11H2,(H,27,30)(H,28,32)
InChIKeyMDSPLKYQEOWPQP-UHFFFAOYSA-N
MW438.43 g/mol
LogP2.97
Rot. Bonds4

About N-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide

N-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 110172640) has the molecular formula C23H20F2N4O3 and a molecular weight of 438.43 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
PubChem CID110172640
Molecular FormulaC23H20F2N4O3
Molecular Weight438.43 g/mol
Exact Mass438.15
IUPAC NameN-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESN#CC1(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)CCCCC1
InChIInChI=1S/C23H20F2N4O3/c24-16-5-4-6-17(25)14(16)11-29-12-15(21(31)20-18(29)7-8-19(30)27-20)22(32)28-23(13-26)9-2-1-3-10-23/h4-8,12H,1-3,9-11H2,(H,27,30)(H,28,32)
InChIKeyMDSPLKYQEOWPQP-UHFFFAOYSA-N
XLogP2.97
TPSA107.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocyclohexyl)-1-[(2,6-dichlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate
CID 110172636
N-(4-aminophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57390977
N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57399707
4-[[1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carbonyl]amino]benzoic acid;hydrobromide
CID 110169212
N-(4-carbamoylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;dihydrate
CID 110172721
3-bromo-N-(1-cyanocycloheptyl)-2-fluorobenzamide
CID 106547595
1-[(2-fluorophenyl)methyl]-4,6-dioxo-N-(3,4,5-trimethoxyphenyl)-5H-1,5-naphthyridine-3-carboxamide;hydrate
CID 110172650
2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide
CID 115687322
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide
CID 62514137
2-amino-N-(1-cyanocyclohexyl)benzamide
CID 110474346

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (CID 110172640) is N-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is N#CC1(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The InChIKey is MDSPLKYQEOWPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O3/c24-16-5-4-6-17(25)14(16)11-29-12-15(21(31)20-18(29)7-8-19(30)27-20)22(32)28-23(13-26)9-2-1-3-10-23/h4-8,12H,1-3,9-11H2,(H,27,30)(H,28,32).
What are the key properties of N-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
N-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 438.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 110172640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).