1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide

C17H25N5O2 — CID 11522796

IUPAC1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1cnc(C)c(N2CCC(C(=O)N3CCCC3C(N)=O)CC2)n1
InChIInChI=1S/C17H25N5O2/c1-11-10-19-12(2)16(20-11)21-8-5-13(6-9-21)17(24)22-7-3-4-14(22)15(18)23/h10,13-14H,3-9H2,1-2H3,(H2,18,23)
InChIKeyADYFORJKSJVDBS-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.79
Rot. Bonds3

About 1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide

1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 11522796) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID11522796
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1cnc(C)c(N2CCC(C(=O)N3CCCC3C(N)=O)CC2)n1
InChIInChI=1S/C17H25N5O2/c1-11-10-19-12(2)16(20-11)21-8-5-13(6-9-21)17(24)22-7-3-4-14(22)15(18)23/h10,13-14H,3-9H2,1-2H3,(H2,18,23)
InChIKeyADYFORJKSJVDBS-UHFFFAOYSA-N
XLogP0.79
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide (CID 11522796) is 1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide is Cc1cnc(C)c(N2CCC(C(=O)N3CCCC3C(N)=O)CC2)n1.
What is the InChIKey of 1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is ADYFORJKSJVDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11-10-19-12(2)16(20-11)21-8-5-13(6-9-21)17(24)22-7-3-4-14(22)15(18)23/h10,13-14H,3-9H2,1-2H3,(H2,18,23).
What are the key properties of 1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11522796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).