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

C10H11N5O3 — CID 106404269

IUPAC5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
SMILESCc1cnc(NCCc2ncon2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N5O3/c1-7-4-8(15(16)17)10(12-5-7)11-3-2-9-13-6-18-14-9/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyYICHCVYKULFQCB-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.34
Rot. Bonds5

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

5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine (PubChem CID 106404269) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
PubChem CID106404269
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
SMILESCc1cnc(NCCc2ncon2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N5O3/c1-7-4-8(15(16)17)10(12-5-7)11-3-2-9-13-6-18-14-9/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyYICHCVYKULFQCB-UHFFFAOYSA-N
XLogP1.34
TPSA106.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
5-methyl-3-nitro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 79493627
3-nitro-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyridine-2,6-diamine
CID 106412297
4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
CID 66281150
N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 66281352
5-nitro-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 106412327
4-methyl-3-nitro-5-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 106401059
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethylurea
CID 79035548
5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 107269289
2-methyl-4-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 106404427
5-methyl-N-(3-methylsulfinylbutyl)-3-nitropyridin-2-amine
CID 115715841
1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine
CID 66279624

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine (CID 106404269) is 5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine is Cc1cnc(NCCc2ncon2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine?
The InChIKey is YICHCVYKULFQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-7-4-8(15(16)17)10(12-5-7)11-3-2-9-13-6-18-14-9/h4-6H,2-3H2,1H3,(H,11,12).
What are the key properties of 5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine?
5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine has a molecular weight of 249.23 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 106404269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).