methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate

C13H14N4O2 — CID 66457684

IUPACmethyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC(C)c2cccnc2)n1
InChIInChI=1S/C13H14N4O2/c1-9(10-4-3-5-14-6-10)16-12-8-15-7-11(17-12)13(18)19-2/h3-9H,1-2H3,(H,16,17)
InChIKeyONCQKBTVLOEEKT-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.83
Rot. Bonds4

About methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate

methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate (PubChem CID 66457684) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate
PubChem CID66457684
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Namemethyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC(C)c2cccnc2)n1
InChIInChI=1S/C13H14N4O2/c1-9(10-4-3-5-14-6-10)16-12-8-15-7-11(17-12)13(18)19-2/h3-9H,1-2H3,(H,16,17)
InChIKeyONCQKBTVLOEEKT-UHFFFAOYSA-N
XLogP1.83
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate
CID 114159121
methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66456508
methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate
CID 104828596
methyl 3-amino-2-(1-pyridin-3-ylethylamino)benzoate
CID 115934150
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
6-(1-pyridin-3-ylethylamino)pyridine-2-carbothioamide
CID 64588051
2-chloro-6-(1-pyridin-3-ylethylamino)pyridine-4-carboxylic acid
CID 43523832
methyl 4-fluoro-3-(1-pyridin-3-ylethylamino)benzoate
CID 43684479
methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate
CID 66456931
[6-[(2-methyl-1-pyridin-3-ylpropyl)amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134711585
methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate
CID 103258260
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate (CID 66457684) is methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate is COC(=O)c1cncc(NC(C)c2cccnc2)n1.
What is the InChIKey of methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate?
The InChIKey is ONCQKBTVLOEEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9(10-4-3-5-14-6-10)16-12-8-15-7-11(17-12)13(18)19-2/h3-9H,1-2H3,(H,16,17).
What are the key properties of methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate?
methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 66457684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).