5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile

C12H17N3 — CID 106328906

IUPAC5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile
SMILESCCC(C)(CC)Nc1ccc(C#N)nc1
InChIInChI=1S/C12H17N3/c1-4-12(3,5-2)15-11-7-6-10(8-13)14-9-11/h6-7,9,15H,4-5H2,1-3H3
InChIKeyKKENXFRPTRACKU-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.94
Rot. Bonds4

About 5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile

5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile (PubChem CID 106328906) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile
PubChem CID106328906
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile
SMILESCCC(C)(CC)Nc1ccc(C#N)nc1
InChIInChI=1S/C12H17N3/c1-4-12(3,5-2)15-11-7-6-10(8-13)14-9-11/h6-7,9,15H,4-5H2,1-3H3
InChIKeyKKENXFRPTRACKU-UHFFFAOYSA-N
XLogP2.94
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile
CID 114617316
5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 113320652
5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736721
5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 115487633
5-(3-ethoxypropylamino)pyridine-2-carbonitrile
CID 79840049
5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile
CID 115680961
5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 79839884
5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile
CID 79839784

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile (CID 106328906) is 5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile is CCC(C)(CC)Nc1ccc(C#N)nc1.
What is the InChIKey of 5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile?
The InChIKey is KKENXFRPTRACKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-12(3,5-2)15-11-7-6-10(8-13)14-9-11/h6-7,9,15H,4-5H2,1-3H3.
What are the key properties of 5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile?
5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 106328906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).