2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile

C15H23N5 — CID 136542345

IUPAC2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile
SMILESCC(CCN1CCN(C)CC1)Nc1cc(C#N)ccn1
InChIInChI=1S/C15H23N5/c1-13(4-6-20-9-7-19(2)8-10-20)18-15-11-14(12-16)3-5-17-15/h3,5,11,13H,4,6-10H2,1-2H3,(H,17,18)
InChIKeyVWHMFPXZBSACRH-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.39
Rot. Bonds5

About 2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile

2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile (PubChem CID 136542345) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile
PubChem CID136542345
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile
SMILESCC(CCN1CCN(C)CC1)Nc1cc(C#N)ccn1
InChIInChI=1S/C15H23N5/c1-13(4-6-20-9-7-19(2)8-10-20)18-15-11-14(12-16)3-5-17-15/h3,5,11,13H,4,6-10H2,1-2H3,(H,17,18)
InChIKeyVWHMFPXZBSACRH-UHFFFAOYSA-N
XLogP1.39
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile (CID 136542345) is 2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile is CC(CCN1CCN(C)CC1)Nc1cc(C#N)ccn1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile?
The InChIKey is VWHMFPXZBSACRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-13(4-6-20-9-7-19(2)8-10-20)18-15-11-14(12-16)3-5-17-15/h3,5,11,13H,4,6-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile?
2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 136542345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).