2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile

C13H18N4 — CID 56879008

IUPAC2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N[C@@H]2CC[C@@H](N)C2)n1
InChIInChI=1S/C13H18N4/c1-8-5-9(2)16-13(12(8)7-14)17-11-4-3-10(15)6-11/h5,10-11H,3-4,6,15H2,1-2H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyIZPCLYPIWHYFHH-GHMZBOCLSA-N
MW230.31 g/mol
LogP1.86
Rot. Bonds2

About 2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile

2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 56879008) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID56879008
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N[C@@H]2CC[C@@H](N)C2)n1
InChIInChI=1S/C13H18N4/c1-8-5-9(2)16-13(12(8)7-14)17-11-4-3-10(15)6-11/h5,10-11H,3-4,6,15H2,1-2H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyIZPCLYPIWHYFHH-GHMZBOCLSA-N
XLogP1.86
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile (CID 56879008) is 2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N[C@@H]2CC[C@@H](N)C2)n1.
What is the InChIKey of 2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is IZPCLYPIWHYFHH-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H18N4/c1-8-5-9(2)16-13(12(8)7-14)17-11-4-3-10(15)6-11/h5,10-11H,3-4,6,15H2,1-2H3,(H,16,17)/t10-,11-/m1/s1.
What are the key properties of 2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile?
2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 56879008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).