1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone

C16H18N4O2 — CID 110096335

IUPAC1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESCc1cncc(C2CCCN2C(=O)COc2cccnc2)n1
InChIInChI=1S/C16H18N4O2/c1-12-8-18-10-14(19-12)15-5-3-7-20(15)16(21)11-22-13-4-2-6-17-9-13/h2,4,6,8-10,15H,3,5,7,11H2,1H3
InChIKeyRCHVVXKLVYZUJD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.92
Rot. Bonds4

About 1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone

1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone (PubChem CID 110096335) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

Compound Name1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
PubChem CID110096335
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESCc1cncc(C2CCCN2C(=O)COc2cccnc2)n1
InChIInChI=1S/C16H18N4O2/c1-12-8-18-10-14(19-12)15-5-3-7-20(15)16(21)11-22-13-4-2-6-17-9-13/h2,4,6,8-10,15H,3,5,7,11H2,1H3
InChIKeyRCHVVXKLVYZUJD-UHFFFAOYSA-N
XLogP1.92
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 90564032
1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110116795
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927
1-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124955277
1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95750442
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 124997340
3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 125018164
2-(2,6-dimethylphenoxy)-1-[(2S)-2-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124976398
1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 125021297
1-[(2S)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 125021298
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 125026523
[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124956541

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone?
The IUPAC name of 1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone (CID 110096335) is 1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone.
What is the SMILES notation for 1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone?
The canonical SMILES for 1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone is Cc1cncc(C2CCCN2C(=O)COc2cccnc2)n1.
What is the InChIKey of 1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone?
The InChIKey is RCHVVXKLVYZUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-8-18-10-14(19-12)15-5-3-7-20(15)16(21)11-22-13-4-2-6-17-9-13/h2,4,6,8-10,15H,3,5,7,11H2,1H3.
What are the key properties of 1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone?
1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone has a molecular weight of 298.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 110096335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).