6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine

C13H20N4O3 — CID 115321590

IUPAC6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCC(C)N2CCCC2)n1
InChIInChI=1S/C13H20N4O3/c1-10(16-7-3-4-8-16)9-14-13-11(17(18)19)5-6-12(15-13)20-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,15)
InChIKeyRTNCKEORYBYWPE-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.89
Rot. Bonds6

About 6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine

6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine (PubChem CID 115321590) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
PubChem CID115321590
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCC(C)N2CCCC2)n1
InChIInChI=1S/C13H20N4O3/c1-10(16-7-3-4-8-16)9-14-13-11(17(18)19)5-6-12(15-13)20-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,15)
InChIKeyRTNCKEORYBYWPE-UHFFFAOYSA-N
XLogP1.89
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899365
1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol
CID 79889536
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 79035165
N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine
CID 114418080
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113286719
2-nitro-N-(2-piperidin-1-ylpropyl)aniline
CID 61018070
6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 79881497
6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine
CID 113413444
6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 79883263
6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 115321427

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine (CID 115321590) is 6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine is COc1ccc([N+](=O)[O-])c(NCC(C)N2CCCC2)n1.
What is the InChIKey of 6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The InChIKey is RTNCKEORYBYWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-10(16-7-3-4-8-16)9-14-13-11(17(18)19)5-6-12(15-13)20-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,15).
What are the key properties of 6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine?
6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 115321590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).