6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile

C11H13N3 — CID 115650122

IUPAC6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
SMILESCN(c1ccc(C#N)cn1)C1CCC1
InChIInChI=1S/C11H13N3/c1-14(10-3-2-4-10)11-6-5-9(7-12)8-13-11/h5-6,8,10H,2-4H2,1H3
InChIKeyITMZZZVXCJZPGF-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.94
Rot. Bonds2

About 6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile

6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile (PubChem CID 115650122) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
PubChem CID115650122
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
SMILESCN(c1ccc(C#N)cn1)C1CCC1
InChIInChI=1S/C11H13N3/c1-14(10-3-2-4-10)11-6-5-9(7-12)8-13-11/h5-6,8,10H,2-4H2,1H3
InChIKeyITMZZZVXCJZPGF-UHFFFAOYSA-N
XLogP1.94
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile (CID 115650122) is 6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile is CN(c1ccc(C#N)cn1)C1CCC1.
What is the InChIKey of 6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile?
The InChIKey is ITMZZZVXCJZPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-14(10-3-2-4-10)11-6-5-9(7-12)8-13-11/h5-6,8,10H,2-4H2,1H3.
What are the key properties of 6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile?
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 115650122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).