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

C11H10ClN5O — CID 106417648

IUPAC3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile
SMILESCc1noc(CCNc2nccc(C#N)c2Cl)n1
InChIInChI=1S/C11H10ClN5O/c1-7-16-9(18-17-7)3-5-15-11-10(12)8(6-13)2-4-14-11/h2,4H,3,5H2,1H3,(H,14,15)
InChIKeyWFPDBQQIZCZASK-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.95
Rot. Bonds4

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

3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile (PubChem CID 106417648) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile
PubChem CID106417648
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile
SMILESCc1noc(CCNc2nccc(C#N)c2Cl)n1
InChIInChI=1S/C11H10ClN5O/c1-7-16-9(18-17-7)3-5-15-11-10(12)8(6-13)2-4-14-11/h2,4H,3,5H2,1H3,(H,14,15)
InChIKeyWFPDBQQIZCZASK-UHFFFAOYSA-N
XLogP1.95
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103761485
5-fluoro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile
CID 103702860
5-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile
CID 114186246
N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 107056968
1-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-c]pyridin-4-amine
CID 106418805
5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 106414189
3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile
CID 107058420
6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106421609
3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107056743
4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103761486
6-N-ethyl-5-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106424403
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile (CID 106417648) is 3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile is Cc1noc(CCNc2nccc(C#N)c2Cl)n1.
What is the InChIKey of 3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is WFPDBQQIZCZASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c1-7-16-9(18-17-7)3-5-15-11-10(12)8(6-13)2-4-14-11/h2,4H,3,5H2,1H3,(H,14,15).
What are the key properties of 3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile?
3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 263.69 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 106417648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).