5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile

C14H22N4 — CID 133334959

IUPAC5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile
SMILESCC(C)CC(CNc1ccc(C#N)nc1)N(C)C
InChIInChI=1S/C14H22N4/c1-11(2)7-14(18(3)4)10-17-13-6-5-12(8-15)16-9-13/h5-6,9,11,14,17H,7,10H2,1-4H3
InChIKeyJHWDNAVJUPCJDM-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.34
Rot. Bonds6

About 5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile

5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile (PubChem CID 133334959) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile
PubChem CID133334959
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile
SMILESCC(C)CC(CNc1ccc(C#N)nc1)N(C)C
InChIInChI=1S/C14H22N4/c1-11(2)7-14(18(3)4)10-17-13-6-5-12(8-15)16-9-13/h5-6,9,11,14,17H,7,10H2,1-4H3
InChIKeyJHWDNAVJUPCJDM-UHFFFAOYSA-N
XLogP2.34
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile
CID 103736448
5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile
CID 115764283
5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 79839884
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile
CID 79839031
5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile
CID 97119021
5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 115487439
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile
CID 79839810
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115487373
5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile
CID 114617316

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile (CID 133334959) is 5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile is CC(C)CC(CNc1ccc(C#N)nc1)N(C)C.
What is the InChIKey of 5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile?
The InChIKey is JHWDNAVJUPCJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11(2)7-14(18(3)4)10-17-13-6-5-12(8-15)16-9-13/h5-6,9,11,14,17H,7,10H2,1-4H3.
What are the key properties of 5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile?
5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133334959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).