(5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide

C22H25N5O3 — CID 97490790

IUPAC(5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
SMILESCCc1ccc(NC(=O)N2CCC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)cc1
InChIInChI=1S/C22H25N5O3/c1-2-16-6-8-17(9-7-16)25-21(29)27-12-4-10-22(15-27)13-19(26-30-22)20(28)24-18-5-3-11-23-14-18/h3,5-9,11,14H,2,4,10,12-13,15H2,1H3,(H,24,28)(H,25,29)/t22-/m1/s1
InChIKeyNSTROPXAOAHWGY-JOCHJYFZSA-N
MW407.47 g/mol
LogP3.43
Rot. Bonds4

About (5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide

(5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide (PubChem CID 97490790) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is (5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide.

Molecular Properties

Compound Name(5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
PubChem CID97490790
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name(5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
SMILESCCc1ccc(NC(=O)N2CCC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)cc1
InChIInChI=1S/C22H25N5O3/c1-2-16-6-8-17(9-7-16)25-21(29)27-12-4-10-22(15-27)13-19(26-30-22)20(28)24-18-5-3-11-23-14-18/h3,5-9,11,14H,2,4,10,12-13,15H2,1H3,(H,24,28)(H,25,29)/t22-/m1/s1
InChIKeyNSTROPXAOAHWGY-JOCHJYFZSA-N
XLogP3.43
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131647681
(5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490929
(5S)-9-N-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490840
9-(3,5-dimethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134075172
(5S)-9-N-(3-fluorophenyl)-3-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490875
(5S)-9-(3-methylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97490769
9-(4-ethylbenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134075186
(5R)-9-N-phenyl-3-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97491056
9-N-(4-methylphenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 134074033
3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 134079593
(5S)-9-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97490813
9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155871183

Frequently Asked Questions

What is the IUPAC name of (5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
The IUPAC name of (5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide (CID 97490790) is (5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide.
What is the SMILES notation for (5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
The canonical SMILES for (5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide is CCc1ccc(NC(=O)N2CCC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)cc1.
What is the InChIKey of (5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
The InChIKey is NSTROPXAOAHWGY-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-2-16-6-8-17(9-7-16)25-21(29)27-12-4-10-22(15-27)13-19(26-30-22)20(28)24-18-5-3-11-23-14-18/h3,5-9,11,14H,2,4,10,12-13,15H2,1H3,(H,24,28)(H,25,29)/t22-/m1/s1.
What are the key properties of (5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?
(5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide is sourced from PubChem (CID 97490790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).