4-(6-amino-3-pyridinyl)oxane-4-carbonitrile

C11H13N3O — CID 135319720

IUPAC4-(6-amino-3-pyridinyl)oxane-4-carbonitrile
SMILESN#CC1(c2ccc(N)nc2)CCOCC1
InChIInChI=1S/C11H13N3O/c12-8-11(3-5-15-6-4-11)9-1-2-10(13)14-7-9/h1-2,7H,3-6H2,(H2,13,14)
InChIKeyXBPPGSXWAIPKAU-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.24
Rot. Bonds1

About 4-(6-amino-3-pyridinyl)oxane-4-carbonitrile

4-(6-amino-3-pyridinyl)oxane-4-carbonitrile (PubChem CID 135319720) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(6-amino-3-pyridinyl)oxane-4-carbonitrile
PubChem CID135319720
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-(6-amino-3-pyridinyl)oxane-4-carbonitrile
SMILESN#CC1(c2ccc(N)nc2)CCOCC1
InChIInChI=1S/C11H13N3O/c12-8-11(3-5-15-6-4-11)9-1-2-10(13)14-7-9/h1-2,7H,3-6H2,(H2,13,14)
InChIKeyXBPPGSXWAIPKAU-UHFFFAOYSA-N
XLogP1.24
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dichlorophenyl)oxane-4-carbonitrile
CID 43164277
5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid
CID 130407792
1-(6-chloro-3-pyridinyl)cyclopropane-1-carbonitrile
CID 22159357
1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile
CID 23134458
4-[4-(methylaminomethyl)phenyl]oxane-4-carbonitrile
CID 177016544
4-(3-iodophenyl)oxane-4-carbonitrile
CID 11771377
1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]cyclopropane-1-carbonitrile
CID 140900816
4-(1-methylimidazol-2-yl)oxane-4-carbonitrile
CID 110431260
(3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile
CID 97052382
(3S)-3-(4-bromophenyl)oxolane-3-carbonitrile
CID 124544632
3-pyridin-4-yloxolane-3-carbonitrile
CID 130160291
4-[3,5-difluoro-4-(3-fluoro-2-pyridinyl)phenyl]oxane-4-carbonitrile
CID 141341547

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)oxane-4-carbonitrile?
The IUPAC name of 4-(6-amino-3-pyridinyl)oxane-4-carbonitrile (CID 135319720) is 4-(6-amino-3-pyridinyl)oxane-4-carbonitrile.
What is the SMILES notation for 4-(6-amino-3-pyridinyl)oxane-4-carbonitrile?
The canonical SMILES for 4-(6-amino-3-pyridinyl)oxane-4-carbonitrile is N#CC1(c2ccc(N)nc2)CCOCC1.
What is the InChIKey of 4-(6-amino-3-pyridinyl)oxane-4-carbonitrile?
The InChIKey is XBPPGSXWAIPKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-8-11(3-5-15-6-4-11)9-1-2-10(13)14-7-9/h1-2,7H,3-6H2,(H2,13,14).
What are the key properties of 4-(6-amino-3-pyridinyl)oxane-4-carbonitrile?
4-(6-amino-3-pyridinyl)oxane-4-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-pyridinyl)oxane-4-carbonitrile is sourced from PubChem (CID 135319720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).