5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile

C13H15N5O — CID 103468728

IUPAC5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1noc(C)c1C(C)Nc1ncc(C#N)cc1N
InChIInChI=1S/C13H15N5O/c1-7(12-8(2)18-19-9(12)3)17-13-11(15)4-10(5-14)6-16-13/h4,6-7H,15H2,1-3H3,(H,16,17)
InChIKeyLDDJLQGPLWLJMK-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.31
Rot. Bonds3

About 5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile

5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 103468728) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID103468728
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1noc(C)c1C(C)Nc1ncc(C#N)cc1N
InChIInChI=1S/C13H15N5O/c1-7(12-8(2)18-19-9(12)3)17-13-11(15)4-10(5-14)6-16-13/h4,6-7H,15H2,1-3H3,(H,16,17)
InChIKeyLDDJLQGPLWLJMK-UHFFFAOYSA-N
XLogP2.31
TPSA100.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile
CID 103468095
2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine
CID 79224969
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 103468700
5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 103467864
4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80847941
1-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 79225191
5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 106414189
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961774
5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961715
3,5-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102762257
4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]benzonitrile
CID 78961485
5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
CID 103467928

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile (CID 103468728) is 5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile is Cc1noc(C)c1C(C)Nc1ncc(C#N)cc1N.
What is the InChIKey of 5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is LDDJLQGPLWLJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-7(12-8(2)18-19-9(12)3)17-13-11(15)4-10(5-14)6-16-13/h4,6-7H,15H2,1-3H3,(H,16,17).
What are the key properties of 5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile?
5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 257.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 103468728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).