4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile

C12H17N3 — CID 64596884

IUPAC4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile
SMILESCC(C)C(C)CNc1ccnc(C#N)c1
InChIInChI=1S/C12H17N3/c1-9(2)10(3)8-15-11-4-5-14-12(6-11)7-13/h4-6,9-10H,8H2,1-3H3,(H,14,15)
InChIKeyADEKNNNQKXXUKZ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.66
Rot. Bonds4

About 4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile

4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile (PubChem CID 64596884) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile
PubChem CID64596884
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile
SMILESCC(C)C(C)CNc1ccnc(C#N)c1
InChIInChI=1S/C12H17N3/c1-9(2)10(3)8-15-11-4-5-14-12(6-11)7-13/h4-6,9-10H,8H2,1-3H3,(H,14,15)
InChIKeyADEKNNNQKXXUKZ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile
CID 114132679
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
CID 62994209
4-(5-methylhexylamino)pyridine-2-carbonitrile
CID 115325582
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815
3-(2,3-dimethylbutylamino)benzonitrile
CID 102816588
4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
CID 62926078
4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile
CID 63226781
4-(3-aminopropylamino)pyridine-2-carbonitrile
CID 62926383
2-[(2-cyano-4-pyridinyl)amino]acetamide
CID 62924991
4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile
CID 62925693
4-hydrazinylpyridine-2-carbonitrile
CID 62925156

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile (CID 64596884) is 4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile is CC(C)C(C)CNc1ccnc(C#N)c1.
What is the InChIKey of 4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile?
The InChIKey is ADEKNNNQKXXUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9(2)10(3)8-15-11-4-5-14-12(6-11)7-13/h4-6,9-10H,8H2,1-3H3,(H,14,15).
What are the key properties of 4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile?
4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 64596884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).