5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine

C16H17N3O2 — CID 66280270

IUPAC5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine
SMILESCc1cnc(NC2CCc3ccccc3C2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O2/c1-11-8-15(19(20)21)16(17-10-11)18-14-7-6-12-4-2-3-5-13(12)9-14/h2-5,8,10,14H,6-7,9H2,1H3,(H,17,18)
InChIKeyAAZGFLUVFZBEMC-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.27
Rot. Bonds3

About 5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine

5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine (PubChem CID 66280270) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine
PubChem CID66280270
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine
SMILESCc1cnc(NC2CCc3ccccc3C2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O2/c1-11-8-15(19(20)21)16(17-10-11)18-14-7-6-12-4-2-3-5-13(12)9-14/h2-5,8,10,14H,6-7,9H2,1H3,(H,17,18)
InChIKeyAAZGFLUVFZBEMC-UHFFFAOYSA-N
XLogP3.27
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.27
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine?
The IUPAC name of 5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine (CID 66280270) is 5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine?
The canonical SMILES for 5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine is Cc1cnc(NC2CCc3ccccc3C2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine?
The InChIKey is AAZGFLUVFZBEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-8-15(19(20)21)16(17-10-11)18-14-7-6-12-4-2-3-5-13(12)9-14/h2-5,8,10,14H,6-7,9H2,1H3,(H,17,18).
What are the key properties of 5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine?
5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine has a molecular weight of 283.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine is sourced from PubChem (CID 66280270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).