5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine

C10H11BrN4O — CID 133463332

IUPAC5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
SMILESCc1nc(CN(C)c2ccc(Br)cn2)no1
InChIInChI=1S/C10H11BrN4O/c1-7-13-9(14-16-7)6-15(2)10-4-3-8(11)5-12-10/h3-5H,6H2,1-2H3
InChIKeySZMZYXWRDFEDLI-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.17
Rot. Bonds3

About 5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine

5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine (PubChem CID 133463332) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
PubChem CID133463332
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
SMILESCc1nc(CN(C)c2ccc(Br)cn2)no1
InChIInChI=1S/C10H11BrN4O/c1-7-13-9(14-16-7)6-15(2)10-4-3-8(11)5-12-10/h3-5H,6H2,1-2H3
InChIKeySZMZYXWRDFEDLI-UHFFFAOYSA-N
XLogP2.17
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55137560
5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine
CID 115146736
5-bromo-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine
CID 133448669
3-[(4-bromophenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 23404141
5-bromo-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 61373959
6-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-amine
CID 133463316
5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
CID 133463400
1-[(5-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333552
3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole
CID 23438610
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133463420
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-amine
CID 133463471
2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile
CID 133463393

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine (CID 133463332) is 5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine is Cc1nc(CN(C)c2ccc(Br)cn2)no1.
What is the InChIKey of 5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is SZMZYXWRDFEDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-7-13-9(14-16-7)6-15(2)10-4-3-8(11)5-12-10/h3-5H,6H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 283.13 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 133463332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).