3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile

C15H15N5O — CID 171702059

IUPAC3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESCc1cnc(OC2CCN(c3cnccc3C#N)C2)nc1
InChIInChI=1S/C15H15N5O/c1-11-7-18-15(19-8-11)21-13-3-5-20(10-13)14-9-17-4-2-12(14)6-16/h2,4,7-9,13H,3,5,10H2,1H3
InChIKeyBOMALCCTZAVDAF-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.71
Rot. Bonds3

About 3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile

3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile (PubChem CID 171702059) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile
PubChem CID171702059
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESCc1cnc(OC2CCN(c3cnccc3C#N)C2)nc1
InChIInChI=1S/C15H15N5O/c1-11-7-18-15(19-8-11)21-13-3-5-20(10-13)14-9-17-4-2-12(14)6-16/h2,4,7-9,13H,3,5,10H2,1H3
InChIKeyBOMALCCTZAVDAF-UHFFFAOYSA-N
XLogP1.71
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 171701989
4-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile
CID 171702089
methyl 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxylate
CID 114287746
2-[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345883
N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine
CID 171701964
1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 103847087
1-(4-cyano-3-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 172890931
3-(4-methylazepan-1-yl)pyridine-4-carbonitrile
CID 114287585
2,5-dimethyl-3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine
CID 171701875
3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile
CID 129349589
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 115883813
3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 103888677

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile (CID 171702059) is 3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile is Cc1cnc(OC2CCN(c3cnccc3C#N)C2)nc1.
What is the InChIKey of 3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is BOMALCCTZAVDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11-7-18-15(19-8-11)21-13-3-5-20(10-13)14-9-17-4-2-12(14)6-16/h2,4,7-9,13H,3,5,10H2,1H3.
What are the key properties of 3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile?
3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 171702059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).