4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile

C18H28N4 — CID 143194383

IUPAC4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCCC(C)(CC)c1nc(N2CCN(C)CC2)cc(C)c1C#N
InChIInChI=1S/C18H28N4/c1-6-18(4,7-2)17-15(13-19)14(3)12-16(20-17)22-10-8-21(5)9-11-22/h12H,6-11H2,1-5H3
InChIKeyMSEPLUFERFAEDW-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.09
Rot. Bonds4

About 4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile

4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 143194383) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID143194383
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCCC(C)(CC)c1nc(N2CCN(C)CC2)cc(C)c1C#N
InChIInChI=1S/C18H28N4/c1-6-18(4,7-2)17-15(13-19)14(3)12-16(20-17)22-10-8-21(5)9-11-22/h12H,6-11H2,1-5H3
InChIKeyMSEPLUFERFAEDW-UHFFFAOYSA-N
XLogP3.09
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile
CID 60658707
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 53368505
4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
CID 138379468
6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770258
2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 63621643
4,6-dimethyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 166601275
4-methyl-6-(4-methylpiperazin-1-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 143194340
2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile
CID 118050425
2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171334663
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 63899165

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile (CID 143194383) is 4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile is CCC(C)(CC)c1nc(N2CCN(C)CC2)cc(C)c1C#N.
What is the InChIKey of 4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is MSEPLUFERFAEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-6-18(4,7-2)17-15(13-19)14(3)12-16(20-17)22-10-8-21(5)9-11-22/h12H,6-11H2,1-5H3.
What are the key properties of 4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 300.45 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 143194383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).