5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile

C11H15N3 — CID 115487385

IUPAC5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
SMILESCCC(C)(C)Nc1ccc(C#N)nc1
InChIInChI=1S/C11H15N3/c1-4-11(2,3)14-10-6-5-9(7-12)13-8-10/h5-6,8,14H,4H2,1-3H3
InChIKeyJEMOBPZEWZUYRG-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.55
Rot. Bonds3

About 5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile

5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile (PubChem CID 115487385) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
PubChem CID115487385
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
SMILESCCC(C)(C)Nc1ccc(C#N)nc1
InChIInChI=1S/C11H15N3/c1-4-11(2,3)14-10-6-5-9(7-12)13-8-10/h5-6,8,14H,4H2,1-3H3
InChIKeyJEMOBPZEWZUYRG-UHFFFAOYSA-N
XLogP2.55
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile
CID 106328906
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-(3-ethoxypropylamino)pyridine-2-carbonitrile
CID 79840049
5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile
CID 115680961
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile
CID 114617316
5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile
CID 79839031
5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736721
5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 113320652
5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 115487633
5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile
CID 115490214

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile (CID 115487385) is 5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile is CCC(C)(C)Nc1ccc(C#N)nc1.
What is the InChIKey of 5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile?
The InChIKey is JEMOBPZEWZUYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-11(2,3)14-10-6-5-9(7-12)13-8-10/h5-6,8,14H,4H2,1-3H3.
What are the key properties of 5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile?
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile has a molecular weight of 189.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 115487385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).