10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide

C21H24N4O5 — CID 171318573

IUPAC10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
SMILESO=C(COc1ccccc1)N1CCOC2(C1)CN(C(=O)Nc1cccnc1)CCO2
InChIInChI=1S/C21H24N4O5/c26-19(14-28-18-6-2-1-3-7-18)24-9-11-29-21(15-24)16-25(10-12-30-21)20(27)23-17-5-4-8-22-13-17/h1-8,13H,9-12,14-16H2,(H,23,27)
InChIKeyFFFQEELXOUIYDW-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.58
Rot. Bonds4

About 10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide

10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 171318573) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID171318573
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
SMILESO=C(COc1ccccc1)N1CCOC2(C1)CN(C(=O)Nc1cccnc1)CCO2
InChIInChI=1S/C21H24N4O5/c26-19(14-28-18-6-2-1-3-7-18)24-9-11-29-21(15-24)16-25(10-12-30-21)20(27)23-17-5-4-8-22-13-17/h1-8,13H,9-12,14-16H2,(H,23,27)
InChIKeyFFFQEELXOUIYDW-UHFFFAOYSA-N
XLogP1.58
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of 10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide (CID 171318573) is 10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for 10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for 10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide is O=C(COc1ccccc1)N1CCOC2(C1)CN(C(=O)Nc1cccnc1)CCO2.
What is the InChIKey of 10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is FFFQEELXOUIYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c26-19(14-28-18-6-2-1-3-7-18)24-9-11-29-21(15-24)16-25(10-12-30-21)20(27)23-17-5-4-8-22-13-17/h1-8,13H,9-12,14-16H2,(H,23,27).
What are the key properties of 10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 171318573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).