6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile

C17H15N3O2 — CID 133392332

IUPAC6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Oc2ccc(C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C17H15N3O2/c18-12-14-4-3-5-16(19-14)22-15-8-6-13(7-9-15)17(21)20-10-1-2-11-20/h3-9H,1-2,10-11H2
InChIKeyJFJXKAPEBYOZIV-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.98
Rot. Bonds3

About 6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile

6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile (PubChem CID 133392332) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile
PubChem CID133392332
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Oc2ccc(C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C17H15N3O2/c18-12-14-4-3-5-16(19-14)22-15-8-6-13(7-9-15)17(21)20-10-1-2-11-20/h3-9H,1-2,10-11H2
InChIKeyJFJXKAPEBYOZIV-UHFFFAOYSA-N
XLogP2.98
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 72855974
6-(4-hydroxyphenoxy)pyridine-2-carbonitrile
CID 64588999
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
6-[4-(4-nitrobenzoyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 122132156
pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 78824899
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 133301707
3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile
CID 51190549

Frequently Asked Questions

What is the IUPAC name of 6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile (CID 133392332) is 6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile is N#Cc1cccc(Oc2ccc(C(=O)N3CCCC3)cc2)n1.
What is the InChIKey of 6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile?
The InChIKey is JFJXKAPEBYOZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-12-14-4-3-5-16(19-14)22-15-8-6-13(7-9-15)17(21)20-10-1-2-11-20/h3-9H,1-2,10-11H2.
What are the key properties of 6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile?
6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile has a molecular weight of 293.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 133392332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).