(5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C17H22N4O3 — CID 98778326

IUPAC(5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(Nc1cccnc1)C1=NO[C@]2(CCN(C[C@H]3CCOC3)C2)C1
InChIInChI=1S/C17H22N4O3/c22-16(19-14-2-1-5-18-9-14)15-8-17(24-20-15)4-6-21(12-17)10-13-3-7-23-11-13/h1-2,5,9,13H,3-4,6-8,10-12H2,(H,19,22)/t13-,17-/m1/s1
InChIKeyZGWPTGIBBKPYNH-CXAGYDPISA-N
MW330.39 g/mol
LogP1.28
Rot. Bonds4

About (5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 98778326) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID98778326
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(Nc1cccnc1)C1=NO[C@]2(CCN(C[C@H]3CCOC3)C2)C1
InChIInChI=1S/C17H22N4O3/c22-16(19-14-2-1-5-18-9-14)15-8-17(24-20-15)4-6-21(12-17)10-13-3-7-23-11-13/h1-2,5,9,13H,3-4,6-8,10-12H2,(H,19,22)/t13-,17-/m1/s1
InChIKeyZGWPTGIBBKPYNH-CXAGYDPISA-N
XLogP1.28
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(oxolan-3-yl)-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131655216
(5R)-7-[(3R)-oxolan-3-yl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 124522025
(5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97396199
N-pyridin-3-yl-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131663228
9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155871183
(5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491762
9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131647681
9-(3,5-dimethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134075172
(5S)-9-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97490813
(5S)-9-(3-methylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97490769
(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
[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131639584

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 98778326) is (5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(Nc1cccnc1)C1=NO[C@]2(CCN(C[C@H]3CCOC3)C2)C1.
What is the InChIKey of (5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is ZGWPTGIBBKPYNH-CXAGYDPISA-N. The full InChI is InChI=1S/C17H22N4O3/c22-16(19-14-2-1-5-18-9-14)15-8-17(24-20-15)4-6-21(12-17)10-13-3-7-23-11-13/h1-2,5,9,13H,3-4,6-8,10-12H2,(H,19,22)/t13-,17-/m1/s1.
What are the key properties of (5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 98778326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).