2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

C14H19N3O2 — CID 104705673

IUPAC2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOC1(CNc2nc(C)cc(C)c2C#N)CCOC1
InChIInChI=1S/C14H19N3O2/c1-10-6-11(2)17-13(12(10)7-15)16-8-14(18-3)4-5-19-9-14/h6H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyZBEYKCJKLPAJKX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.79
Rot. Bonds4

About 2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 104705673) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID104705673
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOC1(CNc2nc(C)cc(C)c2C#N)CCOC1
InChIInChI=1S/C14H19N3O2/c1-10-6-11(2)17-13(12(10)7-15)16-8-14(18-3)4-5-19-9-14/h6H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyZBEYKCJKLPAJKX-UHFFFAOYSA-N
XLogP1.79
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 114072689
2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 103354121
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 106102343
3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine
CID 105367120
4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 104767340
2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid
CID 104762268
3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile
CID 104705584
5-bromo-2-[(3-methoxyoxolan-3-yl)methylamino]benzonitrile
CID 104705560
2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carbothioamide
CID 114767963
6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
CID 104767552
1-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311074
6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine
CID 104759022

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 104705673) is 2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is COC1(CNc2nc(C)cc(C)c2C#N)CCOC1.
What is the InChIKey of 2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ZBEYKCJKLPAJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-6-11(2)17-13(12(10)7-15)16-8-14(18-3)4-5-19-9-14/h6H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 261.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 104705673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).