N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine

C11H11N3O2S — CID 9113799

IUPACN-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCN(Cc1cccs1)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O2S/c1-13(8-9-4-3-7-17-9)11-10(14(15)16)5-2-6-12-11/h2-7H,8H2,1H3
InChIKeyCHLWOZKSNUXUHH-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.69
Rot. Bonds4

About N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine

N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 9113799) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID9113799
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCN(Cc1cccs1)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O2S/c1-13(8-9-4-3-7-17-9)11-10(14(15)16)5-2-6-12-11/h2-7H,8H2,1H3
InChIKeyCHLWOZKSNUXUHH-UHFFFAOYSA-N
XLogP2.69
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.69
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'}

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Related Compounds

6-[methyl(thiophen-2-ylmethyl)amino]-5-nitropyridine-2-carboxylic acid
CID 114403637
2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 43009194
N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 133356104
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43528549
N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 9112758
3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114057374
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 31921413
N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642416
N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 97164455
3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 106876592
3-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62280283
2-[[methyl(thiophen-2-ylmethyl)amino]methyl]-6-nitroaniline
CID 107350844

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 9113799) is N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine is CN(Cc1cccs1)c1ncccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is CHLWOZKSNUXUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-13(8-9-4-3-7-17-9)11-10(14(15)16)5-2-6-12-11/h2-7H,8H2,1H3.
What are the key properties of N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine?
N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 249.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 9113799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).