2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile

C11H13N3O — CID 114766475

IUPAC2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC2CCOC2)n1
InChIInChI=1S/C11H13N3O/c1-8-4-9(6-12)5-11(13-8)14-10-2-3-15-7-10/h4-5,10H,2-3,7H2,1H3,(H,13,14)
InChIKeyJYRXGGIGBBLKLQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.46
Rot. Bonds2

About 2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile

2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile (PubChem CID 114766475) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile
PubChem CID114766475
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC2CCOC2)n1
InChIInChI=1S/C11H13N3O/c1-8-4-9(6-12)5-11(13-8)14-10-2-3-15-7-10/h4-5,10H,2-3,7H2,1H3,(H,13,14)
InChIKeyJYRXGGIGBBLKLQ-UHFFFAOYSA-N
XLogP1.46
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile (CID 114766475) is 2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile is Cc1cc(C#N)cc(NC2CCOC2)n1.
What is the InChIKey of 2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile?
The InChIKey is JYRXGGIGBBLKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-4-9(6-12)5-11(13-8)14-10-2-3-15-7-10/h4-5,10H,2-3,7H2,1H3,(H,13,14).
What are the key properties of 2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile?
2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 114766475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).