5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile

C12H18N4 — CID 103467864

IUPAC5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile
SMILESCCC(Nc1ncc(C#N)cc1N)C(C)C
InChIInChI=1S/C12H18N4/c1-4-11(8(2)3)16-12-10(14)5-9(6-13)7-15-12/h5,7-8,11H,4,14H2,1-3H3,(H,15,16)
InChIKeyVHYMOZPFJONVDW-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.38
Rot. Bonds4

About 5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile

5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile (PubChem CID 103467864) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile
PubChem CID103467864
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile
SMILESCCC(Nc1ncc(C#N)cc1N)C(C)C
InChIInChI=1S/C12H18N4/c1-4-11(8(2)3)16-12-10(14)5-9(6-13)7-15-12/h5,7-8,11H,4,14H2,1-3H3,(H,15,16)
InChIKeyVHYMOZPFJONVDW-UHFFFAOYSA-N
XLogP2.38
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967
5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
CID 103467928
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile
CID 103468095
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 103468700
2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile
CID 114765995
5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 103468728
5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile
CID 103469139
3-(2-methylpentan-3-ylamino)pyrazine-2-carbonitrile
CID 62673067
5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile
CID 103469065
5-amino-6-(2-ethoxyethylamino)pyridine-3-carbonitrile
CID 103467671
5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile (CID 103467864) is 5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile is CCC(Nc1ncc(C#N)cc1N)C(C)C.
What is the InChIKey of 5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile?
The InChIKey is VHYMOZPFJONVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-4-11(8(2)3)16-12-10(14)5-9(6-13)7-15-12/h5,7-8,11H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile?
5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 103467864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).