[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone

C16H18N4O3 — CID 100612049

IUPAC[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCOc1nccnc1O[C@H]1CCN(C(=O)c2cccnc2C)C1
InChIInChI=1S/C16H18N4O3/c1-11-13(4-3-6-17-11)16(21)20-9-5-12(10-20)23-15-14(22-2)18-7-8-19-15/h3-4,6-8,12H,5,9-10H2,1-2H3/t12-/m0/s1
InChIKeyNOXMRABOUZCDSO-LBPRGKRZSA-N
MW314.34 g/mol
LogP1.48
Rot. Bonds4

About [(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone

[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 100612049) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is [(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
PubChem CID100612049
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCOc1nccnc1O[C@H]1CCN(C(=O)c2cccnc2C)C1
InChIInChI=1S/C16H18N4O3/c1-11-13(4-3-6-17-11)16(21)20-9-5-12(10-20)23-15-14(22-2)18-7-8-19-15/h3-4,6-8,12H,5,9-10H2,1-2H3/t12-/m0/s1
InChIKeyNOXMRABOUZCDSO-LBPRGKRZSA-N
XLogP1.48
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755756
[2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 90636850
3-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100756457
3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100756452
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 100611568
(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150505
methyl 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]benzoate
CID 90636853
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757149
[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone
CID 91904267
(2-chloro-4-fluorophenyl)-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100756942
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100756385
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90636828

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of [(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone (CID 100612049) is [(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone is COc1nccnc1O[C@H]1CCN(C(=O)c2cccnc2C)C1.
What is the InChIKey of [(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is NOXMRABOUZCDSO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-13(4-3-6-17-11)16(21)20-9-5-12(10-20)23-15-14(22-2)18-7-8-19-15/h3-4,6-8,12H,5,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone has a molecular weight of 314.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 100612049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).