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

C13H15N3O3 — CID 62477045

IUPAC3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
SMILESCc1ccc(C(C)Nc2ncc([N+](=O)[O-])cc2C)o1
InChIInChI=1S/C13H15N3O3/c1-8-6-11(16(17)18)7-14-13(8)15-10(3)12-5-4-9(2)19-12/h4-7,10H,1-3H3,(H,14,15)
InChIKeyHYGXUJAQGWJCPM-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.37
Rot. Bonds4

About 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine

3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine (PubChem CID 62477045) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
PubChem CID62477045
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
SMILESCc1ccc(C(C)Nc2ncc([N+](=O)[O-])cc2C)o1
InChIInChI=1S/C13H15N3O3/c1-8-6-11(16(17)18)7-14-13(8)15-10(3)12-5-4-9(2)19-12/h4-7,10H,1-3H3,(H,14,15)
InChIKeyHYGXUJAQGWJCPM-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'}

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Related Compounds

3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 62477233
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 30994278
3-methyl-5-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 62477893
5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine
CID 61227487
5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine
CID 83268567
3-bromo-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 104507839
6-N-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 112726541
N-(3,3-dimethylbutan-2-yl)-3-methyl-5-nitropyridin-2-amine
CID 113457884
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitroaniline
CID 43719162
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methyl-5-nitropyridin-2-amine
CID 62475344
N-[1-(5-methylfuran-2-yl)ethyl]-6-nitropyridin-3-amine
CID 62543911
2-[1-(5-methylfuran-2-yl)ethylamino]-5-nitrobenzonitrile
CID 43025707

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine?
The IUPAC name of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine (CID 62477045) is 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine is Cc1ccc(C(C)Nc2ncc([N+](=O)[O-])cc2C)o1.
What is the InChIKey of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine?
The InChIKey is HYGXUJAQGWJCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-6-11(16(17)18)7-14-13(8)15-10(3)12-5-4-9(2)19-12/h4-7,10H,1-3H3,(H,14,15).
What are the key properties of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine?
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-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 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 62477045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).