6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile

C10H14N4 — CID 115319464

IUPAC6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile
SMILESCN(CCCN)c1cccc(C#N)n1
InChIInChI=1S/C10H14N4/c1-14(7-3-6-11)10-5-2-4-9(8-12)13-10/h2,4-5H,3,6-7,11H2,1H3
InChIKeyPYZXDKGGWMHRKJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.74
Rot. Bonds4

About 6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile

6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile (PubChem CID 115319464) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile
PubChem CID115319464
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile
SMILESCN(CCCN)c1cccc(C#N)n1
InChIInChI=1S/C10H14N4/c1-14(7-3-6-11)10-5-2-4-9(8-12)13-10/h2,4-5H,3,6-7,11H2,1H3
InChIKeyPYZXDKGGWMHRKJ-UHFFFAOYSA-N
XLogP0.74
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile (CID 115319464) is 6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile is CN(CCCN)c1cccc(C#N)n1.
What is the InChIKey of 6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile?
The InChIKey is PYZXDKGGWMHRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-14(7-3-6-11)10-5-2-4-9(8-12)13-10/h2,4-5H,3,6-7,11H2,1H3.
What are the key properties of 6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile?
6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 115319464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).