3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

C16H15N5O2 — CID 100755756

IUPAC3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCc1ncccc1C(=O)N1CC[C@@H](Oc2nccnc2C#N)C1
InChIInChI=1S/C16H15N5O2/c1-11-13(3-2-5-18-11)16(22)21-8-4-12(10-21)23-15-14(9-17)19-6-7-20-15/h2-3,5-7,12H,4,8,10H2,1H3/t12-/m1/s1
InChIKeyAXWOQWXJOQHVRB-GFCCVEGCSA-N
MW309.33 g/mol
LogP1.35
Rot. Bonds3

About 3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 100755756) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID100755756
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCc1ncccc1C(=O)N1CC[C@@H](Oc2nccnc2C#N)C1
InChIInChI=1S/C16H15N5O2/c1-11-13(3-2-5-18-11)16(22)21-8-4-12(10-21)23-15-14(9-17)19-6-7-20-15/h2-3,5-7,12H,4,8,10H2,1H3/t12-/m1/s1
InChIKeyAXWOQWXJOQHVRB-GFCCVEGCSA-N
XLogP1.35
TPSA92.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2-ethoxypyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626812
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 100612049
3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626783
3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636478
3-[1-(3,4-dimethoxybenzoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636515
3-[1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626816
3-[1-(3-bromobenzoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636527
3-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754469
3-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626740
3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636477
3-[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636546
3-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636584

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 100755756) is 3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is Cc1ncccc1C(=O)N1CC[C@@H](Oc2nccnc2C#N)C1.
What is the InChIKey of 3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is AXWOQWXJOQHVRB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-11-13(3-2-5-18-11)16(22)21-8-4-12(10-21)23-15-14(9-17)19-6-7-20-15/h2-3,5-7,12H,4,8,10H2,1H3/t12-/m1/s1.
What are the key properties of 3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 309.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 100755756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).