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

C16H20N4O3 — CID 124522025

IUPAC(5R)-7-[(3R)-oxolan-3-yl]-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@@H]3CCOC3)C2)C1
InChIInChI=1S/C16H20N4O3/c21-15(18-12-2-1-5-17-9-12)14-8-16(23-19-14)4-6-20(11-16)13-3-7-22-10-13/h1-2,5,9,13H,3-4,6-8,10-11H2,(H,18,21)/t13-,16-/m1/s1
InChIKeyPJBJWLNKMBECRG-CZUORRHYSA-N
MW316.36 g/mol
LogP1.03
Rot. Bonds3

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

(5R)-7-[(3R)-oxolan-3-yl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 124522025) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (5R)-7-[(3R)-oxolan-3-yl]-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]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID124522025
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(5R)-7-[(3R)-oxolan-3-yl]-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@@H]3CCOC3)C2)C1
InChIInChI=1S/C16H20N4O3/c21-15(18-12-2-1-5-17-9-12)14-8-16(23-19-14)4-6-20(11-16)13-3-7-22-10-13/h1-2,5,9,13H,3-4,6-8,10-11H2,(H,18,21)/t13-,16-/m1/s1
InChIKeyPJBJWLNKMBECRG-CZUORRHYSA-N
XLogP1.03
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(3R)-oxolan-3-yl]-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]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 124522025) is (5R)-7-[(3R)-oxolan-3-yl]-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]-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]-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@@H]3CCOC3)C2)C1.
What is the InChIKey of (5R)-7-[(3R)-oxolan-3-yl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is PJBJWLNKMBECRG-CZUORRHYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-15(18-12-2-1-5-17-9-12)14-8-16(23-19-14)4-6-20(11-16)13-3-7-22-10-13/h1-2,5,9,13H,3-4,6-8,10-11H2,(H,18,21)/t13-,16-/m1/s1.
What are the key properties of (5R)-7-[(3R)-oxolan-3-yl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5R)-7-[(3R)-oxolan-3-yl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.03, 3 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]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 124522025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).