5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide

C17H24N6O2 — CID 127967879

IUPAC5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1cnc(N(C)C)cn1
InChIInChI=1S/C17H24N6O2/c1-4-23-8-7-18-16(23)15-12(6-5-9-25-15)21-17(24)13-10-20-14(11-19-13)22(2)3/h7-8,10-12,15H,4-6,9H2,1-3H3,(H,21,24)/t12-,15-/m0/s1
InChIKeyANFOQMHYXSMEHI-WFASDCNBSA-N
MW344.42 g/mol
LogP1.41
Rot. Bonds5

About 5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide

5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide (PubChem CID 127967879) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide
PubChem CID127967879
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1cnc(N(C)C)cn1
InChIInChI=1S/C17H24N6O2/c1-4-23-8-7-18-16(23)15-12(6-5-9-25-15)21-17(24)13-10-20-14(11-19-13)22(2)3/h7-8,10-12,15H,4-6,9H2,1-3H3,(H,21,24)/t12-,15-/m0/s1
InChIKeyANFOQMHYXSMEHI-WFASDCNBSA-N
XLogP1.41
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide (CID 127967879) is 5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide is CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1cnc(N(C)C)cn1.
What is the InChIKey of 5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide?
The InChIKey is ANFOQMHYXSMEHI-WFASDCNBSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-4-23-8-7-18-16(23)15-12(6-5-9-25-15)21-17(24)13-10-20-14(11-19-13)22(2)3/h7-8,10-12,15H,4-6,9H2,1-3H3,(H,21,24)/t12-,15-/m0/s1.
What are the key properties of 5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide?
5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 127967879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).