4-(5-methylhexylamino)pyridine-2-carbonitrile

C13H19N3 — CID 115325582

IUPAC4-(5-methylhexylamino)pyridine-2-carbonitrile
SMILESCC(C)CCCCNc1ccnc(C#N)c1
InChIInChI=1S/C13H19N3/c1-11(2)5-3-4-7-15-12-6-8-16-13(9-12)10-14/h6,8-9,11H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyWHXAUIMXZUHHOC-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.19
Rot. Bonds6

About 4-(5-methylhexylamino)pyridine-2-carbonitrile

4-(5-methylhexylamino)pyridine-2-carbonitrile (PubChem CID 115325582) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-(5-methylhexylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-methylhexylamino)pyridine-2-carbonitrile
PubChem CID115325582
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-(5-methylhexylamino)pyridine-2-carbonitrile
SMILESCC(C)CCCCNc1ccnc(C#N)c1
InChIInChI=1S/C13H19N3/c1-11(2)5-3-4-7-15-12-6-8-16-13(9-12)10-14/h6,8-9,11H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyWHXAUIMXZUHHOC-UHFFFAOYSA-N
XLogP3.19
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.19
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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Related Compounds

4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile
CID 62925537
4-(3-aminopropylamino)pyridine-2-carbonitrile
CID 62926383
4-(octan-2-ylamino)pyridine-2-carbonitrile
CID 62924662
4-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815
4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile
CID 64596884
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
CID 62926078
4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine
CID 107818927
4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile
CID 63226781
3-(7-methyloctylamino)benzonitrile
CID 114004105
4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile
CID 55136840
4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 113229421

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylhexylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(5-methylhexylamino)pyridine-2-carbonitrile (CID 115325582) is 4-(5-methylhexylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(5-methylhexylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(5-methylhexylamino)pyridine-2-carbonitrile is CC(C)CCCCNc1ccnc(C#N)c1.
What is the InChIKey of 4-(5-methylhexylamino)pyridine-2-carbonitrile?
The InChIKey is WHXAUIMXZUHHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-11(2)5-3-4-7-15-12-6-8-16-13(9-12)10-14/h6,8-9,11H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 4-(5-methylhexylamino)pyridine-2-carbonitrile?
4-(5-methylhexylamino)pyridine-2-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylhexylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 115325582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).