3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide

C23H24ClFN4O3 — CID 91800614

IUPAC3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1Cl
InChIInChI=1S/C23H24ClFN4O3/c1-32-21-4-2-15(12-18(21)24)23(31)27-17-6-8-28(9-7-17)10-11-29-20-13-16(25)14-26-19(20)3-5-22(29)30/h2-5,12-14,17H,6-11H2,1H3,(H,27,31)
InChIKeyKOWIZGKBMLPJMR-UHFFFAOYSA-N
MW458.92 g/mol
LogP3.09
Rot. Bonds6

About 3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide

3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide (PubChem CID 91800614) has the molecular formula C23H24ClFN4O3 and a molecular weight of 458.92 g/mol. Its IUPAC name is 3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide
PubChem CID91800614
Molecular FormulaC23H24ClFN4O3
Molecular Weight458.92 g/mol
Exact Mass458.15
IUPAC Name3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1Cl
InChIInChI=1S/C23H24ClFN4O3/c1-32-21-4-2-15(12-18(21)24)23(31)27-17-6-8-28(9-7-17)10-11-29-20-13-16(25)14-26-19(20)3-5-22(29)30/h2-5,12-14,17H,6-11H2,1H3,(H,27,31)
InChIKeyKOWIZGKBMLPJMR-UHFFFAOYSA-N
XLogP3.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Chloro-4-(4-((2-(pyridin-3-yl)pyrrolidin-1-yl)methyl)phenoxy)benzamide
CID 56851582
LY-2795050
CID 56851583
3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
CID 802066
(4-Methoxyphenyl)(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)methanone hydrochloride
CID 24761156
3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide
CID 9841787
3-chloro-N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 16094705
3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide
CID 18476147
N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide
CID 23508143
3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide
CID 23508145
3-[[3-Chloro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-[(5-fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 168279444
Fluopimomide
CID 72734664
N-(6-chloro-3-pyridinyl)-4-phenoxybenzamide
CID 852620

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide (CID 91800614) is 3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1Cl.
What is the InChIKey of 3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide?
The InChIKey is KOWIZGKBMLPJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O3/c1-32-21-4-2-15(12-18(21)24)23(31)27-17-6-8-28(9-7-17)10-11-29-20-13-16(25)14-26-19(20)3-5-22(29)30/h2-5,12-14,17H,6-11H2,1H3,(H,27,31).
What are the key properties of 3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide?
3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide has a molecular weight of 458.92 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 91800614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).