9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C20H20F2N4O2 — CID 155871183

IUPAC9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(Nc1cccnc1)C1=NOC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1
InChIInChI=1S/C20H20F2N4O2/c21-16-5-4-14(9-17(16)22)12-26-8-2-6-20(13-26)10-18(25-28-20)19(27)24-15-3-1-7-23-11-15/h1,3-5,7,9,11H,2,6,8,10,12-13H2,(H,24,27)
InChIKeyZHAZWQGQMOISGB-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.11
Rot. Bonds4

About 9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 155871183) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID155871183
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(Nc1cccnc1)C1=NOC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1
InChIInChI=1S/C20H20F2N4O2/c21-16-5-4-14(9-17(16)22)12-26-8-2-6-20(13-26)10-18(25-28-20)19(27)24-15-3-1-7-23-11-15/h1,3-5,7,9,11H,2,6,8,10,12-13H2,(H,24,27)
InChIKeyZHAZWQGQMOISGB-UHFFFAOYSA-N
XLogP3.11
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of 9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 155871183) is 9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(Nc1cccnc1)C1=NOC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1.
What is the InChIKey of 9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is ZHAZWQGQMOISGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c21-16-5-4-14(9-17(16)22)12-26-8-2-6-20(13-26)10-18(25-28-20)19(27)24-15-3-1-7-23-11-15/h1,3-5,7,9,11H,2,6,8,10,12-13H2,(H,24,27).
What are the key properties of 9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 155871183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).