6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile

C15H15N5O — CID 171701989

IUPAC6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cnc(OC2CCN(c3ccc(C#N)cn3)C2)nc1
InChIInChI=1S/C15H15N5O/c1-11-7-18-15(19-8-11)21-13-4-5-20(10-13)14-3-2-12(6-16)9-17-14/h2-3,7-9,13H,4-5,10H2,1H3
InChIKeyWUAMBTVAIYDXME-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.71
Rot. Bonds3

About 6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile

6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 171701989) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID171701989
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cnc(OC2CCN(c3ccc(C#N)cn3)C2)nc1
InChIInChI=1S/C15H15N5O/c1-11-7-18-15(19-8-11)21-13-4-5-20(10-13)14-3-2-12(6-16)9-17-14/h2-3,7-9,13H,4-5,10H2,1H3
InChIKeyWUAMBTVAIYDXME-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-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406496
3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile
CID 171702059
2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline
CID 171702682
6-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 171701933
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
CID 69354590
4-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile
CID 171702089
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
2,5-dimethyl-3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine
CID 171701875
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 133391014
6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 154778818

Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile (CID 171701989) is 6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile is Cc1cnc(OC2CCN(c3ccc(C#N)cn3)C2)nc1.
What is the InChIKey of 6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is WUAMBTVAIYDXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11-7-18-15(19-8-11)21-13-4-5-20(10-13)14-3-2-12(6-16)9-17-14/h2-3,7-9,13H,4-5,10H2,1H3.
What are the key properties of 6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile?
6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-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 6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 171701989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).