2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide

C22H22ClN3O4 — CID 58041415

IUPAC2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCNC(=O)c1ccnc(CC(=O)N2CCC3(CC2)CC(=O)c2cccc(Cl)c2O3)c1
InChIInChI=1S/C22H22ClN3O4/c1-24-21(29)14-5-8-25-15(11-14)12-19(28)26-9-6-22(7-10-26)13-18(27)16-3-2-4-17(23)20(16)30-22/h2-5,8,11H,6-7,9-10,12-13H2,1H3,(H,24,29)
InChIKeyNRKNCIUTSCFUCE-UHFFFAOYSA-N
MW427.89 g/mol
LogP2.66
Rot. Bonds3

About 2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide

2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide (PubChem CID 58041415) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is 2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide
PubChem CID58041415
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC Name2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCNC(=O)c1ccnc(CC(=O)N2CCC3(CC2)CC(=O)c2cccc(Cl)c2O3)c1
InChIInChI=1S/C22H22ClN3O4/c1-24-21(29)14-5-8-25-15(11-14)12-19(28)26-9-6-22(7-10-26)13-18(27)16-3-2-4-17(23)20(16)30-22/h2-5,8,11H,6-7,9-10,12-13H2,1H3,(H,24,29)
InChIKeyNRKNCIUTSCFUCE-UHFFFAOYSA-N
XLogP2.66
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide with MolForge

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Related Compounds

8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 46927020
1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 100761498
carbon dioxide;1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-(4-methyl-2-pyridinyl)ethanone
CID 158675437
1-(8-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-2-pyridin-2-ylethanone
CID 58041425
8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100761536
6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide
CID 67122779
[3-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108758625
6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735520
6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758658
6-chloro-1'-(3-chlorobenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750284
1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726147
1'-(2-chloroacetyl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734821

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide (CID 58041415) is 2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide is CNC(=O)c1ccnc(CC(=O)N2CCC3(CC2)CC(=O)c2cccc(Cl)c2O3)c1.
What is the InChIKey of 2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is NRKNCIUTSCFUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c1-24-21(29)14-5-8-25-15(11-14)12-19(28)26-9-6-22(7-10-26)13-18(27)16-3-2-4-17(23)20(16)30-22/h2-5,8,11H,6-7,9-10,12-13H2,1H3,(H,24,29).
What are the key properties of 2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 427.89 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 58041415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).