3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide

C22H24ClFN6O2 — CID 175493905

IUPAC3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide
SMILESCCc1cc2ncc(CN3CCN(c4cc(F)c(C(N)=O)c(Cl)c4N)CC3)cc2[nH]c1=O
InChIInChI=1S/C22H24ClFN6O2/c1-2-13-8-15-16(28-22(13)32)7-12(10-27-15)11-29-3-5-30(6-4-29)17-9-14(24)18(21(26)31)19(23)20(17)25/h7-10H,2-6,11,25H2,1H3,(H2,26,31)(H,28,32)
InChIKeyOHAGSCPDPQYPJW-UHFFFAOYSA-N
MW458.93 g/mol
LogP2.28
Rot. Bonds5

About 3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide

3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide (PubChem CID 175493905) has the molecular formula C22H24ClFN6O2 and a molecular weight of 458.93 g/mol. Its IUPAC name is 3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide
PubChem CID175493905
Molecular FormulaC22H24ClFN6O2
Molecular Weight458.93 g/mol
Exact Mass458.16
IUPAC Name3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide
SMILESCCc1cc2ncc(CN3CCN(c4cc(F)c(C(N)=O)c(Cl)c4N)CC3)cc2[nH]c1=O
InChIInChI=1S/C22H24ClFN6O2/c1-2-13-8-15-16(28-22(13)32)7-12(10-27-15)11-29-3-5-30(6-4-29)17-9-14(24)18(21(26)31)19(23)20(17)25/h7-10H,2-6,11,25H2,1H3,(H2,26,31)(H,28,32)
InChIKeyOHAGSCPDPQYPJW-UHFFFAOYSA-N
XLogP2.28
TPSA121.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.93
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 166082534
7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 170043057
N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide
CID 166088908
2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 166021942
7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 171487990
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride
CID 178131901
4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide
CID 166082491
4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-fluoro-N-pyrrolidin-1-ylbenzamide
CID 178131728
cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
CID 177022352
3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 177022419
3-ethyl-7-[[4-[4-(1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166088870

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide?
The IUPAC name of 3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide (CID 175493905) is 3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide.
What is the SMILES notation for 3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide?
The canonical SMILES for 3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide is CCc1cc2ncc(CN3CCN(c4cc(F)c(C(N)=O)c(Cl)c4N)CC3)cc2[nH]c1=O.
What is the InChIKey of 3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide?
The InChIKey is OHAGSCPDPQYPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN6O2/c1-2-13-8-15-16(28-22(13)32)7-12(10-27-15)11-29-3-5-30(6-4-29)17-9-14(24)18(21(26)31)19(23)20(17)25/h7-10H,2-6,11,25H2,1H3,(H2,26,31)(H,28,32).
What are the key properties of 3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide?
3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide has a molecular weight of 458.93 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide is sourced from PubChem (CID 175493905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).