2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine

C11H15N5O — CID 106411583

IUPAC2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine
SMILESCCNc1cc(NCc2noc(C)n2)ccn1
InChIInChI=1S/C11H15N5O/c1-3-12-10-6-9(4-5-13-10)14-7-11-15-8(2)17-16-11/h4-6H,3,7H2,1-2H3,(H2,12,13,14)
InChIKeyBURWDZPEXBTEJH-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.82
Rot. Bonds5

About 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine

2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine (PubChem CID 106411583) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine
PubChem CID106411583
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine
SMILESCCNc1cc(NCc2noc(C)n2)ccn1
InChIInChI=1S/C11H15N5O/c1-3-12-10-6-9(4-5-13-10)14-7-11-15-8(2)17-16-11/h4-6H,3,7H2,1-2H3,(H2,12,13,14)
InChIKeyBURWDZPEXBTEJH-UHFFFAOYSA-N
XLogP1.82
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 114185472
2-N-ethyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411661
3-iodo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746525
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide
CID 114183854
6-N-ethyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazine-2,6-diamine
CID 113243843
methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate
CID 106400515
4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746517
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpyrimidin-4-yl)aniline
CID 86778784
4-bromo-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741978
6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 103703166
2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
CID 113367828
2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine
CID 114129208

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine (CID 106411583) is 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine is CCNc1cc(NCc2noc(C)n2)ccn1.
What is the InChIKey of 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine?
The InChIKey is BURWDZPEXBTEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-12-10-6-9(4-5-13-10)14-7-11-15-8(2)17-16-11/h4-6H,3,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine?
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine has a molecular weight of 233.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine is sourced from PubChem (CID 106411583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).