2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile

C13H19ClN4 — CID 83073128

IUPAC2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile
SMILESCC(C)C(CN(C)C)Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H19ClN4/c1-9(2)11(8-18(3)4)16-13-6-10(7-15)5-12(14)17-13/h5-6,9,11H,8H2,1-4H3,(H,16,17)
InChIKeyUNZWLACGCZFLJM-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.60
Rot. Bonds5

About 2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile

2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile (PubChem CID 83073128) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile
PubChem CID83073128
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile
SMILESCC(C)C(CN(C)C)Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H19ClN4/c1-9(2)11(8-18(3)4)16-13-6-10(7-15)5-12(14)17-13/h5-6,9,11H,8H2,1-4H3,(H,16,17)
InChIKeyUNZWLACGCZFLJM-UHFFFAOYSA-N
XLogP2.60
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile (CID 83073128) is 2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile is CC(C)C(CN(C)C)Nc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile?
The InChIKey is UNZWLACGCZFLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-9(2)11(8-18(3)4)16-13-6-10(7-15)5-12(14)17-13/h5-6,9,11H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile?
2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile has a molecular weight of 266.78 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 83073128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).