2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile

C11H15N3 — CID 24702082

IUPAC2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile
SMILESCCC(C)(C)Nc1cc(C#N)ccn1
InChIInChI=1S/C11H15N3/c1-4-11(2,3)14-10-7-9(8-12)5-6-13-10/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyMBGKNJLPLHKMMM-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.55
Rot. Bonds3

About 2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile

2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile (PubChem CID 24702082) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile
PubChem CID24702082
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile
SMILESCCC(C)(C)Nc1cc(C#N)ccn1
InChIInChI=1S/C11H15N3/c1-4-11(2,3)14-10-7-9(8-12)5-6-13-10/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyMBGKNJLPLHKMMM-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

2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile
CID 106328947
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile
CID 107865845
2-[(2-amino-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 115303626
2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
2-[2-(dimethylamino)ethylamino]pyridine-4-carbonitrile
CID 24703925
2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
2-(pent-3-ynylamino)pyridine-4-carbonitrile
CID 116644253
2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
CID 60917893
2-(4-methylpentylamino)pyridine-4-carbonitrile
CID 61039208
2-[2-(trifluoromethylsulfanyl)ethylamino]pyridine-4-carbonitrile
CID 106428707
2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 62642744
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 79749854

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile (CID 24702082) is 2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile is CCC(C)(C)Nc1cc(C#N)ccn1.
What is the InChIKey of 2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile?
The InChIKey is MBGKNJLPLHKMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-11(2,3)14-10-7-9(8-12)5-6-13-10/h5-7H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile?
2-(2-methylbutan-2-ylamino)pyridine-4-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 2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 24702082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).