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

C10H11BrN4O — CID 106402597

IUPAC3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
SMILESCc1cnc(NCc2noc(C)n2)c(Br)c1
InChIInChI=1S/C10H11BrN4O/c1-6-3-8(11)10(12-4-6)13-5-9-14-7(2)16-15-9/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyRPEUJFCMRSSMIL-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.46
Rot. Bonds3

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

3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine (PubChem CID 106402597) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
PubChem CID106402597
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
SMILESCc1cnc(NCc2noc(C)n2)c(Br)c1
InChIInChI=1S/C10H11BrN4O/c1-6-3-8(11)10(12-4-6)13-5-9-14-7(2)16-15-9/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyRPEUJFCMRSSMIL-UHFFFAOYSA-N
XLogP2.46
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
CID 103746007
2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746510
4-bromo-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741978
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 106392946
1-(2-bromo-4-methylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 114078725
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 102677497
3-bromo-N-(2-bromoprop-2-enyl)-5-methylpyridin-2-amine
CID 105367126
3-bromo-5-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 105366894
4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746517
1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 130505489
3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411585
3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
CID 103462640

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine (CID 106402597) is 3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine is Cc1cnc(NCc2noc(C)n2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is RPEUJFCMRSSMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-6-3-8(11)10(12-4-6)13-5-9-14-7(2)16-15-9/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
3-bromo-5-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 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 106402597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).