N-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide

C18H26N4O3 — CID 124780552

IUPACN-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCO[C@@]2(CCN(C3CCOCC3)C2)C1)c1cnccn1
InChIInChI=1S/C18H26N4O3/c23-17(16-12-19-5-6-20-16)21-14-1-10-25-18(11-14)4-7-22(13-18)15-2-8-24-9-3-15/h5-6,12,14-15H,1-4,7-11,13H2,(H,21,23)/t14-,18-/m0/s1
InChIKeyMFEHZKQERVTFKO-KSSFIOAISA-N
MW346.43 g/mol
LogP1.01
Rot. Bonds3

About N-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide

N-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide (PubChem CID 124780552) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
PubChem CID124780552
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCO[C@@]2(CCN(C3CCOCC3)C2)C1)c1cnccn1
InChIInChI=1S/C18H26N4O3/c23-17(16-12-19-5-6-20-16)21-14-1-10-25-18(11-14)4-7-22(13-18)15-2-8-24-9-3-15/h5-6,12,14-15H,1-4,7-11,13H2,(H,21,23)/t14-,18-/m0/s1
InChIKeyMFEHZKQERVTFKO-KSSFIOAISA-N
XLogP1.01
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5R,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155855812
N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
CID 97477542
N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
CID 97477682
N-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
CID 124798831
N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
CID 155873123
5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120695909
N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyrazine-2-carboxamide
CID 77080599
(5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 124911090
N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97475846
N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 130233496
N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 124780444
N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 97476036

Frequently Asked Questions

What is the IUPAC name of N-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide (CID 124780552) is N-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide is O=C(N[C@H]1CCO[C@@]2(CCN(C3CCOCC3)C2)C1)c1cnccn1.
What is the InChIKey of N-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?
The InChIKey is MFEHZKQERVTFKO-KSSFIOAISA-N. The full InChI is InChI=1S/C18H26N4O3/c23-17(16-12-19-5-6-20-16)21-14-1-10-25-18(11-14)4-7-22(13-18)15-2-8-24-9-3-15/h5-6,12,14-15H,1-4,7-11,13H2,(H,21,23)/t14-,18-/m0/s1.
What are the key properties of N-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?
N-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 124780552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).