[2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone

C21H23N3O2 — CID 95147443

IUPAC[2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone
SMILESCNc1ncccc1C(=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1
InChIInChI=1S/C21H23N3O2/c1-22-19-17(7-4-13-23-19)20(25)24-14-5-10-21(12-15-24)11-9-16-6-2-3-8-18(16)26-21/h2-4,6-9,11,13H,5,10,12,14-15H2,1H3,(H,22,23)/t21-/m0/s1
InChIKeyXEGJLLOIKMXMQL-NRFANRHFSA-N
MW349.43 g/mol
LogP3.59
Rot. Bonds2

About [2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone

[2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone (PubChem CID 95147443) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone.

Molecular Properties

Compound Name[2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone
PubChem CID95147443
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone
SMILESCNc1ncccc1C(=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1
InChIInChI=1S/C21H23N3O2/c1-22-19-17(7-4-13-23-19)20(25)24-14-5-10-21(12-15-24)11-9-16-6-2-3-8-18(16)26-21/h2-4,6-9,11,13H,5,10,12,14-15H2,1H3,(H,22,23)/t21-/m0/s1
InChIKeyXEGJLLOIKMXMQL-NRFANRHFSA-N
XLogP3.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(spiro[azepane-4,2'-chromene]-1-carbonyl)benzonitrile
CID 50964126
(2-methoxypyrimidin-5-yl)-[(4S)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95125230
isoquinolin-5-yl(spiro[azepane-4,2'-chromene]-1-yl)methanone
CID 50959341
3-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-pyridin-2-one
CID 95127743
(3,5-dihydroxy-4-methylphenyl)-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95125753
2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone
CID 95122993
spiro[azepane-4,2'-chromene]-1-yl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 50960991
[2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 50956103
2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one
CID 95228152
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
(2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone
CID 108754025
N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide
CID 108730468

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone?
The IUPAC name of [2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone (CID 95147443) is [2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone.
What is the SMILES notation for [2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone?
The canonical SMILES for [2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone is CNc1ncccc1C(=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1.
What is the InChIKey of [2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone?
The InChIKey is XEGJLLOIKMXMQL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-22-19-17(7-4-13-23-19)20(25)24-14-5-10-21(12-15-24)11-9-16-6-2-3-8-18(16)26-21/h2-4,6-9,11,13H,5,10,12,14-15H2,1H3,(H,22,23)/t21-/m0/s1.
What are the key properties of [2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone?
[2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone is sourced from PubChem (CID 95147443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).