1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one

C13H16N4O2 — CID 62996104

IUPAC1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCc2ccnc(OC)c2)c1=O
InChIInChI=1S/C13H16N4O2/c1-3-17-7-6-15-12(13(17)18)16-9-10-4-5-14-11(8-10)19-2/h4-8H,3,9H2,1-2H3,(H,15,16)
InChIKeyOUWBBLYLEPKSAF-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.28
Rot. Bonds5

About 1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one

1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one (PubChem CID 62996104) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one
PubChem CID62996104
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCc2ccnc(OC)c2)c1=O
InChIInChI=1S/C13H16N4O2/c1-3-17-7-6-15-12(13(17)18)16-9-10-4-5-14-11(8-10)19-2/h4-8H,3,9H2,1-2H3,(H,15,16)
InChIKeyOUWBBLYLEPKSAF-UHFFFAOYSA-N
XLogP1.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[(6-methoxy-3-pyridinyl)methylamino]pyrazin-2-one
CID 55140337
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62940139
3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62940227
1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one
CID 62929849
1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938284
methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate
CID 60724684
2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324547
3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62927930
3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide
CID 86782024
3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55157194

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one (CID 62996104) is 1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one is CCn1ccnc(NCc2ccnc(OC)c2)c1=O.
What is the InChIKey of 1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one?
The InChIKey is OUWBBLYLEPKSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-17-7-6-15-12(13(17)18)16-9-10-4-5-14-11(8-10)19-2/h4-8H,3,9H2,1-2H3,(H,15,16).
What are the key properties of 1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one?
1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one has a molecular weight of 260.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 62996104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).