N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine

C13H17N3O3 — CID 103863939

IUPACN-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NC2CCOC2C2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3/c1-8-6-11(16(17)18)13(14-7-8)15-10-4-5-19-12(10)9-2-3-9/h6-7,9-10,12H,2-5H2,1H3,(H,14,15)
InChIKeyMUIZRPLVTHVASV-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.28
Rot. Bonds4

About N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine

N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine (PubChem CID 103863939) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine
PubChem CID103863939
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NC2CCOC2C2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3/c1-8-6-11(16(17)18)13(14-7-8)15-10-4-5-19-12(10)9-2-3-9/h6-7,9-10,12H,2-5H2,1H3,(H,14,15)
InChIKeyMUIZRPLVTHVASV-UHFFFAOYSA-N
XLogP2.28
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine (CID 103863939) is N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine is Cc1cnc(NC2CCOC2C2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine?
The InChIKey is MUIZRPLVTHVASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-6-11(16(17)18)13(14-7-8)15-10-4-5-19-12(10)9-2-3-9/h6-7,9-10,12H,2-5H2,1H3,(H,14,15).
What are the key properties of N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine?
N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine has a molecular weight of 263.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 103863939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).