6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide

C12H18N4O2 — CID 167487094

IUPAC6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)cnc1NC1CCOCC1
InChIInChI=1S/C12H18N4O2/c1-2-9-12(14-7-10(16-9)11(13)17)15-8-3-5-18-6-4-8/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,15)
InChIKeyYBXRMGCGRMBABG-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.73
Rot. Bonds4

About 6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide

6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide (PubChem CID 167487094) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide
PubChem CID167487094
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)cnc1NC1CCOCC1
InChIInChI=1S/C12H18N4O2/c1-2-9-12(14-7-10(16-9)11(13)17)15-8-3-5-18-6-4-8/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,15)
InChIKeyYBXRMGCGRMBABG-UHFFFAOYSA-N
XLogP0.73
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide (CID 167487094) is 6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide is CCc1nc(C(N)=O)cnc1NC1CCOCC1.
What is the InChIKey of 6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide?
The InChIKey is YBXRMGCGRMBABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-9-12(14-7-10(16-9)11(13)17)15-8-3-5-18-6-4-8/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide?
6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide has a molecular weight of 250.30 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 6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 167487094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).