2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile

C12H17N3 — CID 43395422

IUPAC2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCCCCNc1nc(C)cc(C)c1C#N
InChIInChI=1S/C12H17N3/c1-4-5-6-14-12-11(8-13)9(2)7-10(3)15-12/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyAJGWCXVCZUFFFS-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.78
Rot. Bonds4

About 2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile

2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 43395422) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID43395422
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCCCCNc1nc(C)cc(C)c1C#N
InChIInChI=1S/C12H17N3/c1-4-5-6-14-12-11(8-13)9(2)7-10(3)15-12/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyAJGWCXVCZUFFFS-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile (CID 43395422) is 2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile is CCCCNc1nc(C)cc(C)c1C#N.
What is the InChIKey of 2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is AJGWCXVCZUFFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-5-6-14-12-11(8-13)9(2)7-10(3)15-12/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile?
2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 43395422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).