methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate

C12H17N3O3 — CID 114118099

IUPACmethyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC2CCC(OC)C2)cn1
InChIInChI=1S/C12H17N3O3/c1-17-9-4-3-8(5-9)15-11-7-13-10(6-14-11)12(16)18-2/h6-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyQZLHDJBLGJZGDX-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.24
Rot. Bonds4

About methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate

methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate (PubChem CID 114118099) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate
PubChem CID114118099
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC2CCC(OC)C2)cn1
InChIInChI=1S/C12H17N3O3/c1-17-9-4-3-8(5-9)15-11-7-13-10(6-14-11)12(16)18-2/h6-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyQZLHDJBLGJZGDX-UHFFFAOYSA-N
XLogP1.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride
CID 172829952
methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate
CID 67218078
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 168758594
5-bromo-N-(3-methoxycyclopentyl)pyridin-2-amine
CID 103081976
methyl 5-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 67401247
methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
CID 103082179
methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271897
5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid
CID 122058090
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide
CID 167749260
6-[(3-methoxycyclohexyl)amino]pyridazine-3-carboxamide
CID 133399457
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate (CID 114118099) is methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate is COC(=O)c1cnc(NC2CCC(OC)C2)cn1.
What is the InChIKey of methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate?
The InChIKey is QZLHDJBLGJZGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-9-4-3-8(5-9)15-11-7-13-10(6-14-11)12(16)18-2/h6-9H,3-5H2,1-2H3,(H,14,15).
What are the key properties of methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate?
methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 114118099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).