7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C18H24N4O3 — CID 118739459

IUPAC7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCc1cccnc1)C1=NOC2(CCN(C3CCOCC3)C2)C1
InChIInChI=1S/C18H24N4O3/c23-17(20-12-14-2-1-6-19-11-14)16-10-18(25-21-16)5-7-22(13-18)15-3-8-24-9-4-15/h1-2,6,11,15H,3-5,7-10,12-13H2,(H,20,23)
InChIKeyPDIOKNOKMNCASY-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.10
Rot. Bonds4

About 7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 118739459) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID118739459
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCc1cccnc1)C1=NOC2(CCN(C3CCOCC3)C2)C1
InChIInChI=1S/C18H24N4O3/c23-17(20-12-14-2-1-6-19-11-14)16-10-18(25-21-16)5-7-22(13-18)15-3-8-24-9-4-15/h1-2,6,11,15H,3-5,7-10,12-13H2,(H,20,23)
InChIKeyPDIOKNOKMNCASY-UHFFFAOYSA-N
XLogP1.10
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of 7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 118739459) is 7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for 7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for 7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NCc1cccnc1)C1=NOC2(CCN(C3CCOCC3)C2)C1.
What is the InChIKey of 7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is PDIOKNOKMNCASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-17(20-12-14-2-1-6-19-11-14)16-10-18(25-21-16)5-7-22(13-18)15-3-8-24-9-4-15/h1-2,6,11,15H,3-5,7-10,12-13H2,(H,20,23).
What are the key properties of 7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 118739459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).