2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile

C15H21N3O — CID 103823160

IUPAC2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCC2(C)CCOCC2)c(C#N)c(C)n1
InChIInChI=1S/C15H21N3O/c1-11-8-14(13(9-16)12(2)18-11)17-10-15(3)4-6-19-7-5-15/h8H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyXVBGWZHZQXHQHX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.80
Rot. Bonds3

About 2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile

2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 103823160) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile
PubChem CID103823160
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCC2(C)CCOCC2)c(C#N)c(C)n1
InChIInChI=1S/C15H21N3O/c1-11-8-14(13(9-16)12(2)18-11)17-10-15(3)4-6-19-7-5-15/h8H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyXVBGWZHZQXHQHX-UHFFFAOYSA-N
XLogP2.80
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile (CID 103823160) is 2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile is Cc1cc(NCC2(C)CCOCC2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is XVBGWZHZQXHQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-8-14(13(9-16)12(2)18-11)17-10-15(3)4-6-19-7-5-15/h8H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of 2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 103823160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).