N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide

C14H21N5O — CID 107374254

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NC2CN3CCC2CC3)cn1
InChIInChI=1S/C14H21N5O/c1-2-15-13-8-16-11(7-17-13)14(20)18-12-9-19-5-3-10(12)4-6-19/h7-8,10,12H,2-6,9H2,1H3,(H,15,17)(H,18,20)
InChIKeyVYJWAYSRAOXEQQ-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.73
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide (PubChem CID 107374254) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide
PubChem CID107374254
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NC2CN3CCC2CC3)cn1
InChIInChI=1S/C14H21N5O/c1-2-15-13-8-16-11(7-17-13)14(20)18-12-9-19-5-3-10(12)4-6-19/h7-8,10,12H,2-6,9H2,1H3,(H,15,17)(H,18,20)
InChIKeyVYJWAYSRAOXEQQ-UHFFFAOYSA-N
XLogP0.73
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167266
N-(1-cyclopropylpyrrolidin-3-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374989
5-(ethylamino)-N-(2-propylcyclopropyl)pyrazine-2-carboxamide
CID 114112346
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 62165513
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62167440
N-(2-cyclopropylpropan-2-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 114112374
(3,4-dimethylpiperidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107376989
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[3,4-c]pyridine-6-carboxamide;methanesulfonic acid
CID 87925336
N-(2,4-dimethylcyclohexyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375780
(3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375674
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-(11C)carboxamide
CID 10084487
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide
CID 22047049

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide (CID 107374254) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide is CCNc1cnc(C(=O)NC2CN3CCC2CC3)cn1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide?
The InChIKey is VYJWAYSRAOXEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-2-15-13-8-16-11(7-17-13)14(20)18-12-9-19-5-3-10(12)4-6-19/h7-8,10,12H,2-6,9H2,1H3,(H,15,17)(H,18,20).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107374254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).