4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile

C12H18N4 — CID 62925537

IUPAC4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile
SMILESCN(C)CCCCNc1ccnc(C#N)c1
InChIInChI=1S/C12H18N4/c1-16(2)8-4-3-6-14-11-5-7-15-12(9-11)10-13/h5,7,9H,3-4,6,8H2,1-2H3,(H,14,15)
InChIKeyICAVTRDEIUCBPK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.71
Rot. Bonds6

About 4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile

4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile (PubChem CID 62925537) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile
PubChem CID62925537
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile
SMILESCN(C)CCCCNc1ccnc(C#N)c1
InChIInChI=1S/C12H18N4/c1-16(2)8-4-3-6-14-11-5-7-15-12(9-11)10-13/h5,7,9H,3-4,6,8H2,1-2H3,(H,14,15)
InChIKeyICAVTRDEIUCBPK-UHFFFAOYSA-N
XLogP1.71
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methylhexylamino)pyridine-2-carbonitrile
CID 115325582
4-(3-aminopropylamino)pyridine-2-carbonitrile
CID 62926383
4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 62979748
4-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815
4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
CID 62926078
4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile
CID 63226781
4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile
CID 55136840
4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 113229421
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 62924993
4-[3-(dimethylamino)propylamino]benzene-1,2-dicarbonitrile
CID 114001772
3-amino-2-[4-(dimethylamino)butylamino]pyridine-4-carbonitrile
CID 82817310

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile (CID 62925537) is 4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile is CN(C)CCCCNc1ccnc(C#N)c1.
What is the InChIKey of 4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile?
The InChIKey is ICAVTRDEIUCBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-16(2)8-4-3-6-14-11-5-7-15-12(9-11)10-13/h5,7,9H,3-4,6,8H2,1-2H3,(H,14,15).
What are the key properties of 4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile?
4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 62925537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).