5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine

C13H15N3O3 — CID 83268567

IUPAC5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine
SMILESCc1ccc(C(C)Nc2cc([N+](=O)[O-])c(C)cn2)o1
InChIInChI=1S/C13H15N3O3/c1-8-7-14-13(6-11(8)16(17)18)15-10(3)12-5-4-9(2)19-12/h4-7,10H,1-3H3,(H,14,15)
InChIKeyJQMRSYNTBOMXAE-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.37
Rot. Bonds4

About 5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine

5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine (PubChem CID 83268567) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine
PubChem CID83268567
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine
SMILESCc1ccc(C(C)Nc2cc([N+](=O)[O-])c(C)cn2)o1
InChIInChI=1S/C13H15N3O3/c1-8-7-14-13(6-11(8)16(17)18)15-10(3)12-5-4-9(2)19-12/h4-7,10H,1-3H3,(H,14,15)
InChIKeyJQMRSYNTBOMXAE-UHFFFAOYSA-N
XLogP3.37
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.37
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 5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-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

5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine
CID 106388838
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 30994278
5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine
CID 61227487
N-[1-(5-methylfuran-2-yl)ethyl]-6-nitropyridin-3-amine
CID 62543911
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 62477045
N-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine
CID 83268375
3-bromo-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 104507839
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methyl-4-nitropyridin-2-amine
CID 83267989
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-nitroaniline
CID 43718730
6-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80800953
1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine
CID 103079768
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-nitroaniline
CID 102605008

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine?
The IUPAC name of 5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine (CID 83268567) is 5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine.
What is the SMILES notation for 5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine?
The canonical SMILES for 5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine is Cc1ccc(C(C)Nc2cc([N+](=O)[O-])c(C)cn2)o1.
What is the InChIKey of 5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine?
The InChIKey is JQMRSYNTBOMXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-7-14-13(6-11(8)16(17)18)15-10(3)12-5-4-9(2)19-12/h4-7,10H,1-3H3,(H,14,15).
What are the key properties of 5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine?
5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine has a molecular weight of 261.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine is sourced from PubChem (CID 83268567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).