2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile

C12H15N3 — CID 55135561

IUPAC2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NC2CC2(C)C)n1
InChIInChI=1S/C12H15N3/c1-8-4-5-9(7-13)11(14-8)15-10-6-12(10,2)3/h4-5,10H,6H2,1-3H3,(H,14,15)
InChIKeyFUPSMRUETKSFJK-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.47
Rot. Bonds2

About 2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile

2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile (PubChem CID 55135561) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile
PubChem CID55135561
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NC2CC2(C)C)n1
InChIInChI=1S/C12H15N3/c1-8-4-5-9(7-13)11(14-8)15-10-6-12(10,2)3/h4-5,10H,6H2,1-3H3,(H,14,15)
InChIKeyFUPSMRUETKSFJK-UHFFFAOYSA-N
XLogP2.47
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile (CID 55135561) is 2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(NC2CC2(C)C)n1.
What is the InChIKey of 2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile?
The InChIKey is FUPSMRUETKSFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-4-5-9(7-13)11(14-8)15-10-6-12(10,2)3/h4-5,10H,6H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile?
2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 55135561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).