methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate

C14H20N4O2 — CID 166507892

IUPACmethyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CC[C@H](N3CCCC3)C2)cn1
InChIInChI=1S/C14H20N4O2/c1-20-14(19)12-8-16-13(9-15-12)18-7-4-11(10-18)17-5-2-3-6-17/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
InChIKeyAAZJRPULAUFNCQ-NSHDSACASA-N
MW276.34 g/mol
LogP0.94
Rot. Bonds3

About methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate

methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate (PubChem CID 166507892) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate
PubChem CID166507892
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Namemethyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CC[C@H](N3CCCC3)C2)cn1
InChIInChI=1S/C14H20N4O2/c1-20-14(19)12-8-16-13(9-15-12)18-7-4-11(10-18)17-5-2-3-6-17/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
InChIKeyAAZJRPULAUFNCQ-NSHDSACASA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66449740
methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059854
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 114059817
methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059884
5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122054898
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide
CID 166507653
5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 166401696
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 104696638
methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 114059784
methyl 5-(1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylate
CID 114059785
lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate
CID 163715404
methyl 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 80572590

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate (CID 166507892) is methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate is COC(=O)c1cnc(N2CC[C@H](N3CCCC3)C2)cn1.
What is the InChIKey of methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate?
The InChIKey is AAZJRPULAUFNCQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-14(19)12-8-16-13(9-15-12)18-7-4-11(10-18)17-5-2-3-6-17/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1.
What are the key properties of methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate?
methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 166507892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).