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

C9H9ClN4O — CID 103748375

IUPAC3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
SMILESCc1nc(CNc2ncccc2Cl)no1
InChIInChI=1S/C9H9ClN4O/c1-6-13-8(14-15-6)5-12-9-7(10)3-2-4-11-9/h2-4H,5H2,1H3,(H,11,12)
InChIKeyPQTVQXVYMIZBPD-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.04
Rot. Bonds3

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

3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine (PubChem CID 103748375) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
PubChem CID103748375
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
SMILESCc1nc(CNc2ncccc2Cl)no1
InChIInChI=1S/C9H9ClN4O/c1-6-13-8(14-15-6)5-12-9-7(10)3-2-4-11-9/h2-4H,5H2,1H3,(H,11,12)
InChIKeyPQTVQXVYMIZBPD-UHFFFAOYSA-N
XLogP2.04
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide
CID 114183857
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 102677497
4-methyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,3-diamine
CID 106393081
3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411585
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine
CID 103703201
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine
CID 106405358
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 62057687
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106413986
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazine-2-carboxylic acid
CID 106409530
2-chloro-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103768023
7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine
CID 106402604
2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine
CID 114182998

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine (CID 103748375) is 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine is Cc1nc(CNc2ncccc2Cl)no1.
What is the InChIKey of 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is PQTVQXVYMIZBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-6-13-8(14-15-6)5-12-9-7(10)3-2-4-11-9/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 224.65 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 103748375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).