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

C12H13N5O — CID 103744395

IUPAC4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCCc2ncno2)n1
InChIInChI=1S/C12H13N5O/c1-8-5-9(2)17-12(10(8)6-13)14-4-3-11-15-7-16-18-11/h5,7H,3-4H2,1-2H3,(H,14,17)
InChIKeyFMBFSGMWCHSQKY-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.61
Rot. Bonds4

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

4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 103744395) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID103744395
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCCc2ncno2)n1
InChIInChI=1S/C12H13N5O/c1-8-5-9(2)17-12(10(8)6-13)14-4-3-11-15-7-16-18-11/h5,7H,3-4H2,1-2H3,(H,14,17)
InChIKeyFMBFSGMWCHSQKY-UHFFFAOYSA-N
XLogP1.61
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile
CID 103744374
4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide
CID 106399717
4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile
CID 32677882
5-bromo-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103757218
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile
CID 103744384
4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
CID 63226839
2-hydrazinyl-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106412476
2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 32682078
6-N,5-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106412081
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine
CID 103744317
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
CID 106399744
5-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 106412100

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile (CID 103744395) is 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCCc2ncno2)n1.
What is the InChIKey of 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is FMBFSGMWCHSQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8-5-9(2)17-12(10(8)6-13)14-4-3-11-15-7-16-18-11/h5,7H,3-4H2,1-2H3,(H,14,17).
What are the key properties of 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile?
4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 103744395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).