2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile

C14H22N4 — CID 114765679

IUPAC2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCC(C)(C)CN(C)C)n1
InChIInChI=1S/C14H22N4/c1-11-6-12(8-15)7-13(17-11)16-9-14(2,3)10-18(4)5/h6-7H,9-10H2,1-5H3,(H,16,17)
InChIKeyWDDPMTZGXSDEQP-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.26
Rot. Bonds5

About 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile

2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile (PubChem CID 114765679) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile
PubChem CID114765679
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCC(C)(C)CN(C)C)n1
InChIInChI=1S/C14H22N4/c1-11-6-12(8-15)7-13(17-11)16-9-14(2,3)10-18(4)5/h6-7H,9-10H2,1-5H3,(H,16,17)
InChIKeyWDDPMTZGXSDEQP-UHFFFAOYSA-N
XLogP2.26
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile (CID 114765679) is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(NCC(C)(C)CN(C)C)n1.
What is the InChIKey of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile?
The InChIKey is WDDPMTZGXSDEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11-6-12(8-15)7-13(17-11)16-9-14(2,3)10-18(4)5/h6-7H,9-10H2,1-5H3,(H,16,17).
What are the key properties of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile?
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114765679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).