4-(3-aminopropylamino)pyridine-2-carbonitrile

C9H12N4 — CID 62926383

IUPAC4-(3-aminopropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCCN)ccn1
InChIInChI=1S/C9H12N4/c10-3-1-4-12-8-2-5-13-9(6-8)7-11/h2,5-6H,1,3-4,10H2,(H,12,13)
InChIKeyCKNLWPJIKOMCRY-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.71
Rot. Bonds4

About 4-(3-aminopropylamino)pyridine-2-carbonitrile

4-(3-aminopropylamino)pyridine-2-carbonitrile (PubChem CID 62926383) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-(3-aminopropylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-aminopropylamino)pyridine-2-carbonitrile
PubChem CID62926383
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name4-(3-aminopropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCCN)ccn1
InChIInChI=1S/C9H12N4/c10-3-1-4-12-8-2-5-13-9(6-8)7-11/h2,5-6H,1,3-4,10H2,(H,12,13)
InChIKeyCKNLWPJIKOMCRY-UHFFFAOYSA-N
XLogP0.71
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-methylhexylamino)pyridine-2-carbonitrile
CID 115325582
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-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815
4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 113229421
4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 62924993
4-hydrazinylpyridine-2-carbonitrile
CID 62925156
2-[(2-cyano-4-pyridinyl)amino]acetamide
CID 62924991
4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 63242090
4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile
CID 114231608

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(3-aminopropylamino)pyridine-2-carbonitrile (CID 62926383) is 4-(3-aminopropylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3-aminopropylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(3-aminopropylamino)pyridine-2-carbonitrile is N#Cc1cc(NCCCN)ccn1.
What is the InChIKey of 4-(3-aminopropylamino)pyridine-2-carbonitrile?
The InChIKey is CKNLWPJIKOMCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c10-3-1-4-12-8-2-5-13-9(6-8)7-11/h2,5-6H,1,3-4,10H2,(H,12,13).
What are the key properties of 4-(3-aminopropylamino)pyridine-2-carbonitrile?
4-(3-aminopropylamino)pyridine-2-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 62926383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).