4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine

C11H16N4O2 — CID 103577513

IUPAC4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine
SMILESCc1cnc(N2CC(C)C(N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O2/c1-7-3-10(15(16)17)11(13-4-7)14-5-8(2)9(12)6-14/h3-4,8-9H,5-6,12H2,1-2H3
InChIKeyIRJCWZGSYQNHFC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.08
Rot. Bonds2

About 4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine

4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine (PubChem CID 103577513) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine
PubChem CID103577513
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine
SMILESCc1cnc(N2CC(C)C(N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O2/c1-7-3-10(15(16)17)11(13-4-7)14-5-8(2)9(12)6-14/h3-4,8-9H,5-6,12H2,1-2H3
InChIKeyIRJCWZGSYQNHFC-UHFFFAOYSA-N
XLogP1.08
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.08
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 4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine (CID 103577513) is 4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine is Cc1cnc(N2CC(C)C(N)C2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine?
The InChIKey is IRJCWZGSYQNHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-3-10(15(16)17)11(13-4-7)14-5-8(2)9(12)6-14/h3-4,8-9H,5-6,12H2,1-2H3.
What are the key properties of 4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine?
4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine has a molecular weight of 236.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine is sourced from PubChem (CID 103577513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).