5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine

C13H20N4O2 — CID 79035165

IUPAC5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
SMILESCc1cnc(NCC(C)N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H20N4O2/c1-10-7-12(17(18)19)13(14-8-10)15-9-11(2)16-5-3-4-6-16/h7-8,11H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyYBSKRSPPLSWGSX-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.19
Rot. Bonds5

About 5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine

5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine (PubChem CID 79035165) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
PubChem CID79035165
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
SMILESCc1cnc(NCC(C)N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H20N4O2/c1-10-7-12(17(18)19)13(14-8-10)15-9-11(2)16-5-3-4-6-16/h7-8,11H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyYBSKRSPPLSWGSX-UHFFFAOYSA-N
XLogP2.19
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.19
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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Related Compounds

5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
CID 102913909
1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 66279622
3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899365
4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 79173745
3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 105366766
1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine
CID 66279624
5-methyl-N-(3-methylsulfinylbutyl)-3-nitropyridin-2-amine
CID 115715841
4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
CID 66281150
4-methyl-3-nitro-N-(2-piperidin-1-ylpropyl)aniline
CID 62912812
6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 115321590
6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471625
6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine
CID 78993003

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine (CID 79035165) is 5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine is Cc1cnc(NCC(C)N2CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The InChIKey is YBSKRSPPLSWGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-7-12(17(18)19)13(14-8-10)15-9-11(2)16-5-3-4-6-16/h7-8,11H,3-6,9H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine?
5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 79035165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).