N-(pyridin-3-ylmethyl)-7-(pyrrolidine-1-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C18H23N5O3 — CID 118743545

IUPACN-(pyridin-3-ylmethyl)-7-(pyrrolidine-1-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCc1cccnc1)C1=NOC2(CCN(C(=O)N3CCCC3)C2)C1
InChIInChI=1S/C18H23N5O3/c24-16(20-12-14-4-3-6-19-11-14)15-10-18(26-21-15)5-9-23(13-18)17(25)22-7-1-2-8-22/h3-4,6,11H,1-2,5,7-10,12-13H2,(H,20,24)
InChIKeyYNIPTBPSBULYAQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.13
Rot. Bonds3

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

N-(pyridin-3-ylmethyl)-7-(pyrrolidine-1-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 118743545) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-7-(pyrrolidine-1-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-7-(pyrrolidine-1-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID118743545
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-(pyridin-3-ylmethyl)-7-(pyrrolidine-1-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCc1cccnc1)C1=NOC2(CCN(C(=O)N3CCCC3)C2)C1
InChIInChI=1S/C18H23N5O3/c24-16(20-12-14-4-3-6-19-11-14)15-10-18(26-21-15)5-9-23(13-18)17(25)22-7-1-2-8-22/h3-4,6,11H,1-2,5,7-10,12-13H2,(H,20,24)
InChIKeyYNIPTBPSBULYAQ-UHFFFAOYSA-N
XLogP1.13
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-7-(pyrrolidine-1-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-7-(pyrrolidine-1-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 118743545) is N-(pyridin-3-ylmethyl)-7-(pyrrolidine-1-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-7-(pyrrolidine-1-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-7-(pyrrolidine-1-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NCc1cccnc1)C1=NOC2(CCN(C(=O)N3CCCC3)C2)C1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-7-(pyrrolidine-1-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is YNIPTBPSBULYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-16(20-12-14-4-3-6-19-11-14)15-10-18(26-21-15)5-9-23(13-18)17(25)22-7-1-2-8-22/h3-4,6,11H,1-2,5,7-10,12-13H2,(H,20,24).
What are the key properties of N-(pyridin-3-ylmethyl)-7-(pyrrolidine-1-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
N-(pyridin-3-ylmethyl)-7-(pyrrolidine-1-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-7-(pyrrolidine-1-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 118743545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).