4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile

C14H15N5O — CID 128979743

IUPAC4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCc1noc(C2CCN(c3nccc(C)c3C#N)C2)n1
InChIInChI=1S/C14H15N5O/c1-9-3-5-16-13(12(9)7-15)19-6-4-11(8-19)14-17-10(2)18-20-14/h3,5,11H,4,6,8H2,1-2H3
InChIKeyIVLMYFJJIKPCCE-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.95
Rot. Bonds2

About 4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile

4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 128979743) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID128979743
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCc1noc(C2CCN(c3nccc(C)c3C#N)C2)n1
InChIInChI=1S/C14H15N5O/c1-9-3-5-16-13(12(9)7-15)19-6-4-11(8-19)14-17-10(2)18-20-14/h3,5,11H,4,6,8H2,1-2H3
InChIKeyIVLMYFJJIKPCCE-UHFFFAOYSA-N
XLogP1.95
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 122137130
5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 136541551
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile
CID 86776903
3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 128979897
4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]furo[3,2-c]pyridine
CID 75442183
5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 86782075
5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 154811224
3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133291332
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 128990313
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
3-methyl-5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
CID 56816452
ethyl 2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 97351945

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 128979743) is 4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile is Cc1noc(C2CCN(c3nccc(C)c3C#N)C2)n1.
What is the InChIKey of 4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is IVLMYFJJIKPCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-3-5-16-13(12(9)7-15)19-6-4-11(8-19)14-17-10(2)18-20-14/h3,5,11H,4,6,8H2,1-2H3.
What are the key properties of 4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 269.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 128979743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).