3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile

C12H19N5 — CID 103468460

IUPAC3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile
SMILESCN(C)CCCN(C)c1ccc(N)c(C#N)n1
InChIInChI=1S/C12H19N5/c1-16(2)7-4-8-17(3)12-6-5-10(14)11(9-13)15-12/h5-6H,4,7-8,14H2,1-3H3
InChIKeyRZTAYNRWEFWGBW-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.92
Rot. Bonds5

About 3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile

3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile (PubChem CID 103468460) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile
PubChem CID103468460
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile
SMILESCN(C)CCCN(C)c1ccc(N)c(C#N)n1
InChIInChI=1S/C12H19N5/c1-16(2)7-4-8-17(3)12-6-5-10(14)11(9-13)15-12/h5-6H,4,7-8,14H2,1-3H3
InChIKeyRZTAYNRWEFWGBW-UHFFFAOYSA-N
XLogP0.92
TPSA69.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]acetamide
CID 103467544
3-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106914232
2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide
CID 103467546
3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile
CID 103467619
3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile
CID 103467785
3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile
CID 103468682
3-amino-6-[2-(dimethylamino)ethoxy]pyridine-2-carbonitrile
CID 103469668
3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
CID 103468015
3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile
CID 103467827
3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
CID 103467674
N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699861
3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile
CID 103468909

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile (CID 103468460) is 3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile is CN(C)CCCN(C)c1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile?
The InChIKey is RZTAYNRWEFWGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-16(2)7-4-8-17(3)12-6-5-10(14)11(9-13)15-12/h5-6H,4,7-8,14H2,1-3H3.
What are the key properties of 3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile?
3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile has a molecular weight of 233.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 103468460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).