3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile

C12H18N4 — CID 103468203

IUPAC3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile
SMILESCCCCC(C)Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C12H18N4/c1-3-4-5-9(2)15-12-7-6-10(14)11(8-13)16-12/h6-7,9H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyHQQMLJOBDHJZAO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.53
Rot. Bonds5

About 3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile

3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile (PubChem CID 103468203) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile
PubChem CID103468203
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile
SMILESCCCCC(C)Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C12H18N4/c1-3-4-5-9(2)15-12-7-6-10(14)11(8-13)16-12/h6-7,9H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyHQQMLJOBDHJZAO-UHFFFAOYSA-N
XLogP2.53
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-nitro-6-(octan-2-ylamino)pyridine-2-carbonitrile
CID 103471442
3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 103468731
3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile
CID 103467281
2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine
CID 63402628
3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
CID 103467749
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589
2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63402670
2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103469330
3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile
CID 103467892
3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 114151096
3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile
CID 103469096
3-amino-4-(hexan-2-ylamino)benzonitrile
CID 62196415

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile (CID 103468203) is 3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile is CCCCC(C)Nc1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile?
The InChIKey is HQQMLJOBDHJZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-4-5-9(2)15-12-7-6-10(14)11(8-13)16-12/h6-7,9H,3-5,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile?
3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 103468203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).