2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile

C11H15N3 — CID 43131440

IUPAC2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile
SMILESCC(C)C(C)Nc1cc(C#N)ccn1
InChIInChI=1S/C11H15N3/c1-8(2)9(3)14-11-6-10(7-12)4-5-13-11/h4-6,8-9H,1-3H3,(H,13,14)
InChIKeyACOCJOKBRQVCCE-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.41
Rot. Bonds3

About 2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile

2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile (PubChem CID 43131440) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile
PubChem CID43131440
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile
SMILESCC(C)C(C)Nc1cc(C#N)ccn1
InChIInChI=1S/C11H15N3/c1-8(2)9(3)14-11-6-10(7-12)4-5-13-11/h4-6,8-9H,1-3H3,(H,13,14)
InChIKeyACOCJOKBRQVCCE-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile (CID 43131440) is 2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile is CC(C)C(C)Nc1cc(C#N)ccn1.
What is the InChIKey of 2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile?
The InChIKey is ACOCJOKBRQVCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8(2)9(3)14-11-6-10(7-12)4-5-13-11/h4-6,8-9H,1-3H3,(H,13,14).
What are the key properties of 2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile?
2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile has a molecular weight of 189.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 43131440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).