3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile

C12H15N3O2 — CID 104705584

IUPAC3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile
SMILESCOC1(CNc2cnccc2C#N)CCOC1
InChIInChI=1S/C12H15N3O2/c1-16-12(3-5-17-9-12)8-15-11-7-14-4-2-10(11)6-13/h2,4,7,15H,3,5,8-9H2,1H3
InChIKeyYQONWQKGOQKCHN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.17
Rot. Bonds4

About 3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile

3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile (PubChem CID 104705584) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile
PubChem CID104705584
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile
SMILESCOC1(CNc2cnccc2C#N)CCOC1
InChIInChI=1S/C12H15N3O2/c1-16-12(3-5-17-9-12)8-15-11-7-14-4-2-10(11)6-13/h2,4,7,15H,3,5,8-9H2,1H3
InChIKeyYQONWQKGOQKCHN-UHFFFAOYSA-N
XLogP1.17
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[(3-methoxyoxolan-3-yl)methylamino]benzonitrile
CID 104705560
3-[(3-methoxyoxolan-3-yl)methylamino]-4-nitrobenzonitrile
CID 104762754
5-fluoro-2-[(4-methoxyoxan-4-yl)methylamino]benzonitrile
CID 133400000
2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104705980
2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 104705673
1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704943
7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 104762658
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine
CID 104705608
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
3-(3-hydroxyprop-1-ynyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-4-carboxamide
CID 104764916
N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline
CID 104762720
2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine
CID 104764554

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile (CID 104705584) is 3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile is COC1(CNc2cnccc2C#N)CCOC1.
What is the InChIKey of 3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile?
The InChIKey is YQONWQKGOQKCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-12(3-5-17-9-12)8-15-11-7-14-4-2-10(11)6-13/h2,4,7,15H,3,5,8-9H2,1H3.
What are the key properties of 3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile?
3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 104705584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).