2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine

C11H14N4O2 — CID 166162094

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine
SMILESCN1CC=C(c2cc(N)c([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C11H14N4O2/c1-14-4-2-8(3-5-14)10-6-9(12)11(7-13-10)15(16)17/h2,6-7H,3-5H2,1H3,(H2,12,13)
InChIKeyLSAYUAJKLHMFJT-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.29
Rot. Bonds2

About 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine (PubChem CID 166162094) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine
PubChem CID166162094
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine
SMILESCN1CC=C(c2cc(N)c([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C11H14N4O2/c1-14-4-2-8(3-5-14)10-6-9(12)11(7-13-10)15(16)17/h2,6-7H,3-5H2,1H3,(H2,12,13)
InChIKeyLSAYUAJKLHMFJT-UHFFFAOYSA-N
XLogP1.29
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.29
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine (CID 166162094) is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine is CN1CC=C(c2cc(N)c([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine?
The InChIKey is LSAYUAJKLHMFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-14-4-2-8(3-5-14)10-6-9(12)11(7-13-10)15(16)17/h2,6-7H,3-5H2,1H3,(H2,12,13).
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine?
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine has a molecular weight of 234.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine is sourced from PubChem (CID 166162094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).