4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile

C18H29N5 — CID 133396909

IUPAC4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCCN1CCN(CC(C)CNc2cc(C)nc(C)c2C#N)CC1
InChIInChI=1S/C18H29N5/c1-5-22-6-8-23(9-7-22)13-14(2)12-20-18-10-15(3)21-16(4)17(18)11-19/h10,14H,5-9,12-13H2,1-4H3,(H,20,21)
InChIKeyWTCQSRKRKAMUNU-UHFFFAOYSA-N
MW315.47 g/mol
LogP2.26
Rot. Bonds6

About 4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile

4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 133396909) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is 4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID133396909
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC Name4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCCN1CCN(CC(C)CNc2cc(C)nc(C)c2C#N)CC1
InChIInChI=1S/C18H29N5/c1-5-22-6-8-23(9-7-22)13-14(2)12-20-18-10-15(3)21-16(4)17(18)11-19/h10,14H,5-9,12-13H2,1-4H3,(H,20,21)
InChIKeyWTCQSRKRKAMUNU-UHFFFAOYSA-N
XLogP2.26
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile (CID 133396909) is 4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile is CCN1CCN(CC(C)CNc2cc(C)nc(C)c2C#N)CC1.
What is the InChIKey of 4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is WTCQSRKRKAMUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-5-22-6-8-23(9-7-22)13-14(2)12-20-18-10-15(3)21-16(4)17(18)11-19/h10,14H,5-9,12-13H2,1-4H3,(H,20,21).
What are the key properties of 4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 315.47 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 133396909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).