4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile

C16H26N4 — CID 133396629

IUPAC4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCC(CC(C)C)N(C)C)c(C#N)c(C)n1
InChIInChI=1S/C16H26N4/c1-11(2)7-14(20(5)6)10-18-16-8-12(3)19-13(4)15(16)9-17/h8,11,14H,7,10H2,1-6H3,(H,18,19)
InChIKeyZDBNYMBBQOMEAT-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.96
Rot. Bonds6

About 4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile

4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 133396629) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID133396629
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCC(CC(C)C)N(C)C)c(C#N)c(C)n1
InChIInChI=1S/C16H26N4/c1-11(2)7-14(20(5)6)10-18-16-8-12(3)19-13(4)15(16)9-17/h8,11,14H,7,10H2,1-6H3,(H,18,19)
InChIKeyZDBNYMBBQOMEAT-UHFFFAOYSA-N
XLogP2.96
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile (CID 133396629) is 4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NCC(CC(C)C)N(C)C)c(C#N)c(C)n1.
What is the InChIKey of 4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ZDBNYMBBQOMEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-11(2)7-14(20(5)6)10-18-16-8-12(3)19-13(4)15(16)9-17/h8,11,14H,7,10H2,1-6H3,(H,18,19).
What are the key properties of 4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 274.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 133396629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).