6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine

C11H11N3O2S — CID 81498068

IUPAC6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine
SMILESCc1ccc(NCc2csc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C11H11N3O2S/c1-8-2-3-10(6-12-8)13-5-9-4-11(14(15)16)17-7-9/h2-4,6-7,13H,5H2,1H3
InChIKeyUFYAZMRJKYXYBI-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.97
Rot. Bonds4

About 6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine

6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine (PubChem CID 81498068) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine
PubChem CID81498068
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine
SMILESCc1ccc(NCc2csc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C11H11N3O2S/c1-8-2-3-10(6-12-8)13-5-9-4-11(14(15)16)17-7-9/h2-4,6-7,13H,5H2,1H3
InChIKeyUFYAZMRJKYXYBI-UHFFFAOYSA-N
XLogP2.97
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.97
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

4-methylsulfanyl-N-[(5-nitrothiophen-3-yl)methyl]aniline
CID 60811666
N-[(5-nitrothiophen-3-yl)methyl]quinolin-6-amine
CID 62635107
4-ethylsulfonyl-N-[(5-nitrothiophen-3-yl)methyl]aniline
CID 60811018
1,3-dimethyl-N-[(5-nitrothiophen-3-yl)methyl]pyrazolo[5,4-b]pyridin-5-amine
CID 60811426
N-[(5-nitrothiophen-3-yl)methyl]-1H-indazol-5-amine
CID 60811291
2-methyl-N-[(5-nitrothiophen-3-yl)methyl]propan-2-amine
CID 60811398
N-[(5-nitrothiophen-3-yl)methyl]-1-benzothiophen-5-amine
CID 60812580
4-fluoro-3-methoxy-N-[(5-nitrothiophen-3-yl)methyl]aniline
CID 114838870
2,2-dimethyl-N-[(5-nitrothiophen-3-yl)methyl]-1,3-benzodioxol-5-amine
CID 60812195
N-[3-[(5-nitrothiophen-3-yl)methylamino]phenyl]methanesulfonamide
CID 60812074
methyl 2-chloro-5-[(5-nitrothiophen-3-yl)methylamino]benzoate
CID 60811542
3-fluoro-5-nitro-N-[(5-nitrothiophen-3-yl)methyl]aniline
CID 107334747

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine (CID 81498068) is 6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine is Cc1ccc(NCc2csc([N+](=O)[O-])c2)cn1.
What is the InChIKey of 6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine?
The InChIKey is UFYAZMRJKYXYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-8-2-3-10(6-12-8)13-5-9-4-11(14(15)16)17-7-9/h2-4,6-7,13H,5H2,1H3.
What are the key properties of 6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine?
6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine has a molecular weight of 249.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(5-nitrothiophen-3-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 81498068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).