methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate

C13H20N4O2 — CID 114504550

IUPACmethyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCN(C)CC2C)n1
InChIInChI=1S/C13H20N4O2/c1-9-8-17(2)5-4-10(9)15-12-7-14-6-11(16-12)13(18)19-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyHMVPYJKSGMGKID-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.02
Rot. Bonds3

About methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate

methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate (PubChem CID 114504550) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate
PubChem CID114504550
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Namemethyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCN(C)CC2C)n1
InChIInChI=1S/C13H20N4O2/c1-9-8-17(2)5-4-10(9)15-12-7-14-6-11(16-12)13(18)19-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyHMVPYJKSGMGKID-UHFFFAOYSA-N
XLogP1.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate (CID 114504550) is methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(NC2CCN(C)CC2C)n1.
What is the InChIKey of methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate?
The InChIKey is HMVPYJKSGMGKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-8-17(2)5-4-10(9)15-12-7-14-6-11(16-12)13(18)19-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate?
methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 114504550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).