2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

C13H18N4 — CID 103354121

IUPAC2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC2(N)CCC2)n1
InChIInChI=1S/C13H18N4/c1-9-6-10(2)17-12(11(9)7-14)16-8-13(15)4-3-5-13/h6H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyABSUUOKBKMADRX-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.86
Rot. Bonds3

About 2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 103354121) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID103354121
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC2(N)CCC2)n1
InChIInChI=1S/C13H18N4/c1-9-6-10(2)17-12(11(9)7-14)16-8-13(15)4-3-5-13/h6H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyABSUUOKBKMADRX-UHFFFAOYSA-N
XLogP1.86
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 103354121) is 2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCC2(N)CCC2)n1.
What is the InChIKey of 2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ABSUUOKBKMADRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-6-10(2)17-12(11(9)7-14)16-8-13(15)4-3-5-13/h6H,3-5,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 103354121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).