3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide

C18H25N5O3 — CID 118739461

IUPAC3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
SMILESCC(C)N(C)C(=O)C1=NOC2(CCN(C(=O)NCc3cccnc3)C2)C1
InChIInChI=1S/C18H25N5O3/c1-13(2)22(3)16(24)15-9-18(26-21-15)6-8-23(12-18)17(25)20-11-14-5-4-7-19-10-14/h4-5,7,10,13H,6,8-9,11-12H2,1-3H3,(H,20,25)
InChIKeyCDCUBFVHKLONNF-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.38
Rot. Bonds4

About 3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide

3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide (PubChem CID 118739461) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
PubChem CID118739461
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
SMILESCC(C)N(C)C(=O)C1=NOC2(CCN(C(=O)NCc3cccnc3)C2)C1
InChIInChI=1S/C18H25N5O3/c1-13(2)22(3)16(24)15-9-18(26-21-15)6-8-23(12-18)17(25)20-11-14-5-4-7-19-10-14/h4-5,7,10,13H,6,8-9,11-12H2,1-3H3,(H,20,25)
InChIKeyCDCUBFVHKLONNF-UHFFFAOYSA-N
XLogP1.38
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?
The IUPAC name of 3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide (CID 118739461) is 3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide.
What is the SMILES notation for 3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?
The canonical SMILES for 3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide is CC(C)N(C)C(=O)C1=NOC2(CCN(C(=O)NCc3cccnc3)C2)C1.
What is the InChIKey of 3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?
The InChIKey is CDCUBFVHKLONNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-13(2)22(3)16(24)15-9-18(26-21-15)6-8-23(12-18)17(25)20-11-14-5-4-7-19-10-14/h4-5,7,10,13H,6,8-9,11-12H2,1-3H3,(H,20,25).
What are the key properties of 3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?
3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-propan-2-yl-7-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide is sourced from PubChem (CID 118739461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).