N-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine

C13H15N3O2S — CID 133356717

IUPACN-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cc1ccsc1)N(C)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H15N3O2S/c1-10(7-11-5-6-19-9-11)15(2)13-4-3-12(8-14-13)16(17)18/h3-6,8-10H,7H2,1-2H3
InChIKeyGTJFLRZAJLKLJU-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.12
Rot. Bonds5

About N-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine

N-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine (PubChem CID 133356717) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
PubChem CID133356717
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cc1ccsc1)N(C)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H15N3O2S/c1-10(7-11-5-6-19-9-11)15(2)13-4-3-12(8-14-13)16(17)18/h3-6,8-10H,7H2,1-2H3
InChIKeyGTJFLRZAJLKLJU-UHFFFAOYSA-N
XLogP3.12
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
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 N-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-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

N-[(2R)-1-ethylsulfanylpropan-2-yl]-N-methyl-5-nitropyridin-2-amine
CID 95968534
3-bromo-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 79534973
2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile
CID 133356712
(2R)-1-(5-nitro-2-pyridinyl)propan-2-amine
CID 95028659
2-(2-chloropropyl)-5-nitropyridine
CID 63205077
5-chloro-6-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carboxamide
CID 133356764
2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 71914701
N-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133356765
3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 71975319
N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 27889649
N-[(4-tert-butylphenyl)methyl]-N-methyl-5-nitropyridin-2-amine
CID 30639165
N-[(2-bromo-4-nitrophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61474161

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of N-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine (CID 133356717) is N-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine is CC(Cc1ccsc1)N(C)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is GTJFLRZAJLKLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10(7-11-5-6-19-9-11)15(2)13-4-3-12(8-14-13)16(17)18/h3-6,8-10H,7H2,1-2H3.
What are the key properties of N-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
N-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 277.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 133356717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).