1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide

C22H26N2O3 — CID 118780791

IUPAC1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CC3(CCCCC3)Oc3ccccc32)cn1C
InChIInChI=1S/C22H26N2O3/c1-15-12-19(25)17(14-24(15)2)21(26)23-18-13-22(10-6-3-7-11-22)27-20-9-5-4-8-16(18)20/h4-5,8-9,12,14,18H,3,6-7,10-11,13H2,1-2H3,(H,23,26)
InChIKeyJGJLGCKLARHNBS-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.65
Rot. Bonds2

About 1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide

1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide (PubChem CID 118780791) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide
PubChem CID118780791
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CC3(CCCCC3)Oc3ccccc32)cn1C
InChIInChI=1S/C22H26N2O3/c1-15-12-19(25)17(14-24(15)2)21(26)23-18-13-22(10-6-3-7-11-22)27-20-9-5-4-8-16(18)20/h4-5,8-9,12,14,18H,3,6-7,10-11,13H2,1-2H3,(H,23,26)
InChIKeyJGJLGCKLARHNBS-UHFFFAOYSA-N
XLogP3.65
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide
CID 125157024
2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide
CID 99934057
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide
CID 131931836
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133224868
5-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]furan-2-carboxamide
CID 51546641
1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea
CID 124621687
2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide
CID 99996343
2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide
CID 155945168
(2S)-2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119341975
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride
CID 119815673

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide?
The IUPAC name of 1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide (CID 118780791) is 1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide?
The canonical SMILES for 1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CC3(CCCCC3)Oc3ccccc32)cn1C.
What is the InChIKey of 1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide?
The InChIKey is JGJLGCKLARHNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-12-19(25)17(14-24(15)2)21(26)23-18-13-22(10-6-3-7-11-22)27-20-9-5-4-8-16(18)20/h4-5,8-9,12,14,18H,3,6-7,10-11,13H2,1-2H3,(H,23,26).
What are the key properties of 1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide?
1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 118780791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).