1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine

C13H21N3O3 — CID 55163945

IUPAC1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine
SMILESCCCNC(COC)Cc1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C13H21N3O3/c1-4-5-14-11(9-19-3)7-13-10(2)6-12(8-15-13)16(17)18/h6,8,11,14H,4-5,7,9H2,1-3H3
InChIKeyBKVPIRVESRJMPV-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.86
Rot. Bonds8

About 1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine

1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine (PubChem CID 55163945) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine
PubChem CID55163945
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine
SMILESCCCNC(COC)Cc1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C13H21N3O3/c1-4-5-14-11(9-19-3)7-13-10(2)6-12(8-15-13)16(17)18/h6,8,11,14H,4-5,7,9H2,1-3H3
InChIKeyBKVPIRVESRJMPV-UHFFFAOYSA-N
XLogP1.86
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.86
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'}

Analyze 1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-methoxy-2-(propylamino)propyl]-5-nitrobenzonitrile
CID 115501698
N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine
CID 63199963
1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine
CID 63202169
2-(2-chloro-3,3-dimethylbutyl)-3-methyl-5-nitropyridine
CID 63202846
4-(3-fluoro-5-nitrophenyl)-1-methoxy-N-propylbutan-2-amine
CID 115980842
N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine
CID 62477722
3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid
CID 81077962
1-methoxy-N-propyl-3-pyrimidin-4-ylpropan-2-amine
CID 63197559
N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine
CID 62476877
3-methyl-N-[2-(2-methylpropoxy)ethyl]-5-nitropyridin-2-amine
CID 115618354
1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine
CID 63197601
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 106190136

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine?
The IUPAC name of 1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine (CID 55163945) is 1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine is CCCNC(COC)Cc1ncc([N+](=O)[O-])cc1C.
What is the InChIKey of 1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine?
The InChIKey is BKVPIRVESRJMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-5-14-11(9-19-3)7-13-10(2)6-12(8-15-13)16(17)18/h6,8,11,14H,4-5,7,9H2,1-3H3.
What are the key properties of 1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine?
1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine is sourced from PubChem (CID 55163945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).