3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile

C16H25N5 — CID 136534742

IUPAC3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile
SMILESCCN1CCN(CC(C)CNc2cnccc2C#N)CC1
InChIInChI=1S/C16H25N5/c1-3-20-6-8-21(9-7-20)13-14(2)11-19-16-12-18-5-4-15(16)10-17/h4-5,12,14,19H,3,6-9,11,13H2,1-2H3
InChIKeyGODHDJHBRGVSJX-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.64
Rot. Bonds6

About 3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile

3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile (PubChem CID 136534742) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile
PubChem CID136534742
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile
SMILESCCN1CCN(CC(C)CNc2cnccc2C#N)CC1
InChIInChI=1S/C16H25N5/c1-3-20-6-8-21(9-7-20)13-14(2)11-19-16-12-18-5-4-15(16)10-17/h4-5,12,14,19H,3,6-9,11,13H2,1-2H3
InChIKeyGODHDJHBRGVSJX-UHFFFAOYSA-N
XLogP1.64
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
CID 114287768
3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
CID 115883746
2-chloro-4-[[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]benzonitrile
CID 99857766
4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396909
3-(2-hydroxypentylamino)pyridine-4-carbonitrile
CID 115883782
2-[[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 99827932
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyridin-2-amine
CID 86805423
3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 114942452
3-[[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]methyl]benzonitrile
CID 119122330
3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
CID 114287606
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine
CID 91651034
N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-fluoropyridin-2-amine
CID 99857768

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile (CID 136534742) is 3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile is CCN1CCN(CC(C)CNc2cnccc2C#N)CC1.
What is the InChIKey of 3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile?
The InChIKey is GODHDJHBRGVSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-3-20-6-8-21(9-7-20)13-14(2)11-19-16-12-18-5-4-15(16)10-17/h4-5,12,14,19H,3,6-9,11,13H2,1-2H3.
What are the key properties of 3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile?
3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile has a molecular weight of 287.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 136534742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).