3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile

C13H17N3O — CID 114119321

IUPAC3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile
SMILESCOC1CC(Nc2cccnc2C#N)C1(C)C
InChIInChI=1S/C13H17N3O/c1-13(2)11(7-12(13)17-3)16-9-5-4-6-15-10(9)8-14/h4-6,11-12,16H,7H2,1-3H3
InChIKeyYRFPBUMJCMKUNV-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.18
Rot. Bonds3

About 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile

3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile (PubChem CID 114119321) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile
PubChem CID114119321
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile
SMILESCOC1CC(Nc2cccnc2C#N)C1(C)C
InChIInChI=1S/C13H17N3O/c1-13(2)11(7-12(13)17-3)16-9-5-4-6-15-10(9)8-14/h4-6,11-12,16H,7H2,1-3H3
InChIKeyYRFPBUMJCMKUNV-UHFFFAOYSA-N
XLogP2.18
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile (CID 114119321) is 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile is COC1CC(Nc2cccnc2C#N)C1(C)C.
What is the InChIKey of 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile?
The InChIKey is YRFPBUMJCMKUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2)11(7-12(13)17-3)16-9-5-4-6-15-10(9)8-14/h4-6,11-12,16H,7H2,1-3H3.
What are the key properties of 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile?
3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 114119321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).