N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine

C15H15N3O2 — CID 104695781

IUPACN-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C15H15N3O2/c1-10-6-7-14(18(19)20)15(16-10)17-13-8-11-4-2-3-5-12(11)9-13/h2-7,13H,8-9H2,1H3,(H,16,17)
InChIKeyHTQKMCSRTAEZHG-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.88
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine

N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine (PubChem CID 104695781) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine
PubChem CID104695781
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C15H15N3O2/c1-10-6-7-14(18(19)20)15(16-10)17-13-8-11-4-2-3-5-12(11)9-13/h2-7,13H,8-9H2,1H3,(H,16,17)
InChIKeyHTQKMCSRTAEZHG-UHFFFAOYSA-N
XLogP2.88
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine
CID 81135844
N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-3-nitropyridin-2-amine
CID 104695809
N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine
CID 103082010
N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine
CID 81139047
5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine
CID 66280270
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
N-(2-bromo-4-methyl-5-nitrophenyl)-2,3-dihydro-1H-inden-2-amine
CID 104815010
4-N-(2,3-dihydro-1H-inden-2-yl)-5-nitropyrimidine-4,6-diamine
CID 107855427
1-(1,3-dihydroisoindol-2-yl)-4-[(6-methyl-3-nitro-2-pyridinyl)amino]butan-1-one
CID 133388784
6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine
CID 81333831
N-(2,6-dimethylpiperidin-1-yl)-6-methyl-3-nitropyridin-2-amine
CID 83026617
6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine
CID 81140719

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine (CID 104695781) is N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NC2Cc3ccccc3C2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine?
The InChIKey is HTQKMCSRTAEZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-6-7-14(18(19)20)15(16-10)17-13-8-11-4-2-3-5-12(11)9-13/h2-7,13H,8-9H2,1H3,(H,16,17).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine?
N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine has a molecular weight of 269.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 104695781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).