[6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C15H20N6O — CID 134710262

IUPAC[6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1cncc1CNc1cncc(C(=O)N2CCCC2)n1
InChIInChI=1S/C15H20N6O/c1-2-20-11-17-7-12(20)8-18-14-10-16-9-13(19-14)15(22)21-5-3-4-6-21/h7,9-11H,2-6,8H2,1H3,(H,18,19)
InChIKeyKUEGXBAPUQWQMW-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.54
Rot. Bonds5

About [6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134710262) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is [6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID134710262
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name[6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1cncc1CNc1cncc(C(=O)N2CCCC2)n1
InChIInChI=1S/C15H20N6O/c1-2-20-11-17-7-12(20)8-18-14-10-16-9-13(19-14)15(22)21-5-3-4-6-21/h7,9-11H,2-6,8H2,1H3,(H,18,19)
InChIKeyKUEGXBAPUQWQMW-UHFFFAOYSA-N
XLogP1.54
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide
CID 122569446
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide;formic acid
CID 154911064
[6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 131952839
[6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135116818
(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 125445470
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline
CID 66133608
piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
[6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135093411
1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one
CID 66130168
2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid
CID 135092980
N-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 167864511

Frequently Asked Questions

What is the IUPAC name of [6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 134710262) is [6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is CCn1cncc1CNc1cncc(C(=O)N2CCCC2)n1.
What is the InChIKey of [6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KUEGXBAPUQWQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-2-20-11-17-7-12(20)8-18-14-10-16-9-13(19-14)15(22)21-5-3-4-6-21/h7,9-11H,2-6,8H2,1H3,(H,18,19).
What are the key properties of [6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 300.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134710262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).