2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile

C13H12N4O — CID 11276507

IUPAC2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile
SMILESCc1cccc(Nc2ncccc2OCC#N)n1
InChIInChI=1S/C13H12N4O/c1-10-4-2-6-12(16-10)17-13-11(18-9-7-14)5-3-8-15-13/h2-6,8H,9H2,1H3,(H,15,16,17)
InChIKeyIMBCZMOURBHVNZ-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.43
Rot. Bonds4

About 2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile

2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile (PubChem CID 11276507) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile
PubChem CID11276507
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile
SMILESCc1cccc(Nc2ncccc2OCC#N)n1
InChIInChI=1S/C13H12N4O/c1-10-4-2-6-12(16-10)17-13-11(18-9-7-14)5-3-8-15-13/h2-6,8H,9H2,1H3,(H,15,16,17)
InChIKeyIMBCZMOURBHVNZ-UHFFFAOYSA-N
XLogP2.43
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-methyl-N-(6-methyl-2-pyridinyl)pyridin-2-amine
CID 11356950
3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-2-ylpyridin-2-amine
CID 11220495
methyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate
CID 11346332
4-N-(6-methyl-2-pyridinyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22542345
3-ethoxy-5-(2-methylphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine
CID 86036475
3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile
CID 172624283
3-[(6-methyl-2-pyridinyl)amino]propanenitrile
CID 130918867
3-ethoxy-5-(5-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine
CID 11164030
2-(5-methylquinolin-8-yl)oxyacetonitrile
CID 71319987
2-(4-methylquinolin-8-yl)oxyacetonitrile
CID 71319986
5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine
CID 86610310
N-iodo-6-methylpyridin-2-amine
CID 134375052

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile?
The IUPAC name of 2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile (CID 11276507) is 2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile.
What is the SMILES notation for 2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile?
The canonical SMILES for 2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile is Cc1cccc(Nc2ncccc2OCC#N)n1.
What is the InChIKey of 2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile?
The InChIKey is IMBCZMOURBHVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-10-4-2-6-12(16-10)17-13-11(18-9-7-14)5-3-8-15-13/h2-6,8H,9H2,1H3,(H,15,16,17).
What are the key properties of 2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile?
2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile has a molecular weight of 240.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]oxy]acetonitrile is sourced from PubChem (CID 11276507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).