3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile

C14H22N4 — CID 112584427

IUPAC3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile
SMILESCCC(NC)c1ccc(N(C)C(C)CC#N)cn1
InChIInChI=1S/C14H22N4/c1-5-13(16-3)14-7-6-12(10-17-14)18(4)11(2)8-9-15/h6-7,10-11,13,16H,5,8H2,1-4H3
InChIKeyUSJADIYKXDPWLB-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.49
Rot. Bonds6

About 3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile

3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile (PubChem CID 112584427) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile.

Molecular Properties

Compound Name3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile
PubChem CID112584427
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile
SMILESCCC(NC)c1ccc(N(C)C(C)CC#N)cn1
InChIInChI=1S/C14H22N4/c1-5-13(16-3)14-7-6-12(10-17-14)18(4)11(2)8-9-15/h6-7,10-11,13,16H,5,8H2,1-4H3
InChIKeyUSJADIYKXDPWLB-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-[1-(methylamino)propyl]-N-(4-methylphenyl)pyridin-3-amine
CID 115939523
2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol
CID 112584231
6-[1-(methylamino)propyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine
CID 112584561
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol
CID 104552388
N-methyl-6-[1-(methylamino)propyl]-N-(2-methylsulfanylethyl)pyridin-3-amine
CID 112660524
N-methyl-6-[1-(methylamino)propyl]-N-(2-methylprop-2-enyl)pyridin-3-amine
CID 113498653
N-methyl-6-[1-(methylamino)propyl]-N-(oxan-4-yl)pyridin-3-amine
CID 112584222
N-methyl-6-[1-(methylamino)propyl]-N-(2-phenylethyl)pyridin-3-amine
CID 115939684
3-(N,4-dimethylanilino)butanenitrile
CID 82111722
N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 112660607
3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile
CID 112584090
6-[1-(ethylamino)propyl]-N,N-dimethylpyridin-3-amine
CID 112584103

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile?
The IUPAC name of 3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile (CID 112584427) is 3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile.
What is the SMILES notation for 3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile?
The canonical SMILES for 3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile is CCC(NC)c1ccc(N(C)C(C)CC#N)cn1.
What is the InChIKey of 3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile?
The InChIKey is USJADIYKXDPWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-5-13(16-3)14-7-6-12(10-17-14)18(4)11(2)8-9-15/h6-7,10-11,13,16H,5,8H2,1-4H3.
What are the key properties of 3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile?
3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile has a molecular weight of 246.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile is sourced from PubChem (CID 112584427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).