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

C12H12N4O — CID 103946676

IUPAC6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cnc(C(C)Nc2ccc(C#N)cn2)o1
InChIInChI=1S/C12H12N4O/c1-8-6-15-12(17-8)9(2)16-11-4-3-10(5-13)7-14-11/h3-4,6-7,9H,1-2H3,(H,14,16)
InChIKeyRWYYQHNRWRZBHP-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.42
Rot. Bonds3

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

6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 103946676) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID103946676
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cnc(C(C)Nc2ccc(C#N)cn2)o1
InChIInChI=1S/C12H12N4O/c1-8-6-15-12(17-8)9(2)16-11-4-3-10(5-13)7-14-11/h3-4,6-7,9H,1-2H3,(H,14,16)
InChIKeyRWYYQHNRWRZBHP-UHFFFAOYSA-N
XLogP2.42
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile
CID 133333165
4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 113413004
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 63611566
ethyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133363432
6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308
6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946658
6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106390412
3-chloro-4-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzonitrile
CID 102676337
6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
CID 55025215
4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile
CID 106544926

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile (CID 103946676) is 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile is Cc1cnc(C(C)Nc2ccc(C#N)cn2)o1.
What is the InChIKey of 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is RWYYQHNRWRZBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-6-15-12(17-8)9(2)16-11-4-3-10(5-13)7-14-11/h3-4,6-7,9H,1-2H3,(H,14,16).
What are the key properties of 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile?
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 103946676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).