6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile

C14H21N5 — CID 133289535

IUPAC6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile
SMILESCC(CNc1ccc(C#N)cn1)N1CCN(C)CC1
InChIInChI=1S/C14H21N5/c1-12(19-7-5-18(2)6-8-19)10-16-14-4-3-13(9-15)11-17-14/h3-4,11-12H,5-8,10H2,1-2H3,(H,16,17)
InChIKeyLGAMMRHFTNJVCP-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.00
Rot. Bonds4

About 6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile

6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile (PubChem CID 133289535) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile
PubChem CID133289535
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile
SMILESCC(CNc1ccc(C#N)cn1)N1CCN(C)CC1
InChIInChI=1S/C14H21N5/c1-12(19-7-5-18(2)6-8-19)10-16-14-4-3-13(9-15)11-17-14/h3-4,11-12H,5-8,10H2,1-2H3,(H,16,17)
InChIKeyLGAMMRHFTNJVCP-UHFFFAOYSA-N
XLogP1.00
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile (CID 133289535) is 6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile is CC(CNc1ccc(C#N)cn1)N1CCN(C)CC1.
What is the InChIKey of 6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile?
The InChIKey is LGAMMRHFTNJVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-12(19-7-5-18(2)6-8-19)10-16-14-4-3-13(9-15)11-17-14/h3-4,11-12H,5-8,10H2,1-2H3,(H,16,17).
What are the key properties of 6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile?
6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133289535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).