N-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C18H24N4O3 — CID 118739595

IUPACN-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCC1CC1)C1CN(C(=O)c2cnccn2)CC12CCOCC2
InChIInChI=1S/C18H24N4O3/c23-16(21-9-13-1-2-13)14-11-22(12-18(14)3-7-25-8-4-18)17(24)15-10-19-5-6-20-15/h5-6,10,13-14H,1-4,7-9,11-12H2,(H,21,23)
InChIKeyXUIYLNSXXDQDNF-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.87
Rot. Bonds4

About N-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 118739595) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID118739595
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCC1CC1)C1CN(C(=O)c2cnccn2)CC12CCOCC2
InChIInChI=1S/C18H24N4O3/c23-16(21-9-13-1-2-13)14-11-22(12-18(14)3-7-25-8-4-18)17(24)15-10-19-5-6-20-15/h5-6,10,13-14H,1-4,7-9,11-12H2,(H,21,23)
InChIKeyXUIYLNSXXDQDNF-UHFFFAOYSA-N
XLogP0.87
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 118739595) is N-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCC1CC1)C1CN(C(=O)c2cnccn2)CC12CCOCC2.
What is the InChIKey of N-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is XUIYLNSXXDQDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-16(21-9-13-1-2-13)14-11-22(12-18(14)3-7-25-8-4-18)17(24)15-10-19-5-6-20-15/h5-6,10,13-14H,1-4,7-9,11-12H2,(H,21,23).
What are the key properties of N-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118739595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).