4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile

C14H20N4 — CID 81052089

IUPAC4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCCCNC2CC2)c(C#N)c(C)n1
InChIInChI=1S/C14H20N4/c1-10-8-14(13(9-15)11(2)18-10)17-7-3-6-16-12-4-5-12/h8,12,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyKFXIEOSYBFJHHT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.12
Rot. Bonds6

About 4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile

4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81052089) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81052089
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCCCNC2CC2)c(C#N)c(C)n1
InChIInChI=1S/C14H20N4/c1-10-8-14(13(9-15)11(2)18-10)17-7-3-6-16-12-4-5-12/h8,12,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyKFXIEOSYBFJHHT-UHFFFAOYSA-N
XLogP2.12
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.12
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-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81061309
2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
CID 81042476
4-[2-(azepan-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043474
4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 103844191
4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060746
2,6-dimethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile
CID 81036499
4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133433965
4-[3-(cyclopropylamino)propylamino]-3-methylbenzonitrile
CID 54934036
methyl 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]propanoate
CID 81061329
2,6-dimethyl-4-(2-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060354
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969
4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 115282671

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 81052089) is 4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NCCCNC2CC2)c(C#N)c(C)n1.
What is the InChIKey of 4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is KFXIEOSYBFJHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-8-14(13(9-15)11(2)18-10)17-7-3-6-16-12-4-5-12/h8,12,16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81052089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).