2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide

C25H27N3O5 — CID 162660740

IUPAC2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
SMILESCC(C)=CCc1c(OCC(=O)Nc2ccc(N3CCOCC3)cn2)ccc2ccc(=O)oc12
InChIInChI=1S/C25H27N3O5/c1-17(2)3-7-20-21(8-4-18-5-10-24(30)33-25(18)20)32-16-23(29)27-22-9-6-19(15-26-22)28-11-13-31-14-12-28/h3-6,8-10,15H,7,11-14,16H2,1-2H3,(H,26,27,29)
InChIKeyGLIWEOKTEANRCP-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.55
Rot. Bonds7

About 2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide

2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide (PubChem CID 162660740) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
PubChem CID162660740
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
SMILESCC(C)=CCc1c(OCC(=O)Nc2ccc(N3CCOCC3)cn2)ccc2ccc(=O)oc12
InChIInChI=1S/C25H27N3O5/c1-17(2)3-7-20-21(8-4-18-5-10-24(30)33-25(18)20)32-16-23(29)27-22-9-6-19(15-26-22)28-11-13-31-14-12-28/h3-6,8-10,15H,7,11-14,16H2,1-2H3,(H,26,27,29)
InChIKeyGLIWEOKTEANRCP-UHFFFAOYSA-N
XLogP3.55
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide with MolForge

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Related Compounds

2-(4-acetylphenoxy)-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 38142916
2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 55823377
2-(2-chloro-4-phenylphenoxy)-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 55549199
3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 25469896
2-cyclohexyl-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 43049107
1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea
CID 154754832
N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide
CID 134053190
3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide
CID 18207509
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 22831253
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 18209874
N-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 38141318
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide (CID 162660740) is 2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide is CC(C)=CCc1c(OCC(=O)Nc2ccc(N3CCOCC3)cn2)ccc2ccc(=O)oc12.
What is the InChIKey of 2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?
The InChIKey is GLIWEOKTEANRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-17(2)3-7-20-21(8-4-18-5-10-24(30)33-25(18)20)32-16-23(29)27-22-9-6-19(15-26-22)28-11-13-31-14-12-28/h3-6,8-10,15H,7,11-14,16H2,1-2H3,(H,26,27,29).
What are the key properties of 2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?
2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide has a molecular weight of 449.51 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-methylbut-2-enyl)-2-oxochromen-7-yl]oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 162660740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).