1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one

C24H28N2O3 — CID 164690880

IUPAC1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one
SMILESO=C1CC2(CCCN(C(=O)CCCCc3cccnc3)CC2)Oc2ccccc21
InChIInChI=1S/C24H28N2O3/c27-21-17-24(29-22-10-3-2-9-20(21)22)12-6-15-26(16-13-24)23(28)11-4-1-7-19-8-5-14-25-18-19/h2-3,5,8-10,14,18H,1,4,6-7,11-13,15-17H2
InChIKeyMSRZVDDFAQKQJY-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.21
Rot. Bonds5

About 1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one

1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one (PubChem CID 164690880) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one.

Molecular Properties

Compound Name1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one
PubChem CID164690880
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one
SMILESO=C1CC2(CCCN(C(=O)CCCCc3cccnc3)CC2)Oc2ccccc21
InChIInChI=1S/C24H28N2O3/c27-21-17-24(29-22-10-3-2-9-20(21)22)12-6-15-26(16-13-24)23(28)11-4-1-7-19-8-5-14-25-18-19/h2-3,5,8-10,14,18H,1,4,6-7,11-13,15-17H2
InChIKeyMSRZVDDFAQKQJY-UHFFFAOYSA-N
XLogP4.21
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 124849629
1'-[3-(1,2,4-triazol-4-yl)propanoyl]spiro[3H-chromene-2,4'-azepane]-4-one
CID 164695858
[2-oxo-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)ethyl]urea
CID 164695148
4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 138382256
1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one
CID 164691259
1'-[4-(4-chlorophenoxy)butanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757646
1'-(1,5-dimethylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164694189
(5R)-9-(2-pyridin-3-ylacetyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95714313
1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734281
2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetic acid
CID 164694844
1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734214
formic acid;1'-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one
CID 166598569

Frequently Asked Questions

What is the IUPAC name of 1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one?
The IUPAC name of 1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one (CID 164690880) is 1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one.
What is the SMILES notation for 1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one?
The canonical SMILES for 1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one is O=C1CC2(CCCN(C(=O)CCCCc3cccnc3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one?
The InChIKey is MSRZVDDFAQKQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-21-17-24(29-22-10-3-2-9-20(21)22)12-6-15-26(16-13-24)23(28)11-4-1-7-19-8-5-14-25-18-19/h2-3,5,8-10,14,18H,1,4,6-7,11-13,15-17H2.
What are the key properties of 1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one?
1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one has a molecular weight of 392.50 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one is sourced from PubChem (CID 164690880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).