6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile

C12H16N4 — CID 115308042

IUPAC6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(CN)(Nc1cccc(C#N)n1)C1CC1
InChIInChI=1S/C12H16N4/c1-12(8-14,9-5-6-9)16-11-4-2-3-10(7-13)15-11/h2-4,9H,5-6,8,14H2,1H3,(H,15,16)
InChIKeyCFRXEAIUIMCRRP-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.49
Rot. Bonds4

About 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile

6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 115308042) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile
PubChem CID115308042
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(CN)(Nc1cccc(C#N)n1)C1CC1
InChIInChI=1S/C12H16N4/c1-12(8-14,9-5-6-9)16-11-4-2-3-10(7-13)15-11/h2-4,9H,5-6,8,14H2,1H3,(H,15,16)
InChIKeyCFRXEAIUIMCRRP-UHFFFAOYSA-N
XLogP1.49
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile (CID 115308042) is 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile is CC(CN)(Nc1cccc(C#N)n1)C1CC1.
What is the InChIKey of 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is CFRXEAIUIMCRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-12(8-14,9-5-6-9)16-11-4-2-3-10(7-13)15-11/h2-4,9H,5-6,8,14H2,1H3,(H,15,16).
What are the key properties of 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile?
6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 115308042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).