6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine

C13H15N3O2S — CID 102838567

IUPAC6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(-c2ccsc2C)n1
InChIInChI=1S/C13H15N3O2S/c1-3-7-14-12-5-4-11(16(17)18)13(15-12)10-6-8-19-9(10)2/h4-6,8H,3,7H2,1-2H3,(H,14,15)
InChIKeyNSZYJHBRCREOQE-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.85
Rot. Bonds5

About 6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine

6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine (PubChem CID 102838567) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine
PubChem CID102838567
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(-c2ccsc2C)n1
InChIInChI=1S/C13H15N3O2S/c1-3-7-14-12-5-4-11(16(17)18)13(15-12)10-6-8-19-9(10)2/h4-6,8H,3,7H2,1-2H3,(H,14,15)
InChIKeyNSZYJHBRCREOQE-UHFFFAOYSA-N
XLogP3.85
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.85
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

6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine
CID 112749867
6-butyl-5-nitro-N-propylpyridin-2-amine
CID 106659336
3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548
6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine
CID 80844603
6-(2-methylthiophen-3-yl)-N-propylpyridin-2-amine
CID 102838364
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652
2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771612
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
CID 115503043
2-N-(3-methylsulfonylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80790516
4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 102838564
2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 83034182

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine?
The IUPAC name of 6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine (CID 102838567) is 6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine?
The canonical SMILES for 6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine is CCCNc1ccc([N+](=O)[O-])c(-c2ccsc2C)n1.
What is the InChIKey of 6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine?
The InChIKey is NSZYJHBRCREOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-7-14-12-5-4-11(16(17)18)13(15-12)10-6-8-19-9(10)2/h4-6,8H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine?
6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine has a molecular weight of 277.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine is sourced from PubChem (CID 102838567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).