6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine

C16H19N5O4 — CID 135154613

IUPAC6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine
SMILESCOc1ccc(OC2CCN(c3ccc([N+](=O)[O-])c(N)n3)CC2)cn1
InChIInChI=1S/C16H19N5O4/c1-24-15-5-2-12(10-18-15)25-11-6-8-20(9-7-11)14-4-3-13(21(22)23)16(17)19-14/h2-5,10-11H,6-9H2,1H3,(H2,17,19)
InChIKeyXINAWIYCMZIOIT-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.02
Rot. Bonds5

About 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine

6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine (PubChem CID 135154613) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine
PubChem CID135154613
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine
SMILESCOc1ccc(OC2CCN(c3ccc([N+](=O)[O-])c(N)n3)CC2)cn1
InChIInChI=1S/C16H19N5O4/c1-24-15-5-2-12(10-18-15)25-11-6-8-20(9-7-11)14-4-3-13(21(22)23)16(17)19-14/h2-5,10-11H,6-9H2,1H3,(H2,17,19)
InChIKeyXINAWIYCMZIOIT-UHFFFAOYSA-N
XLogP2.02
TPSA116.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine?
The IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine (CID 135154613) is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine is COc1ccc(OC2CCN(c3ccc([N+](=O)[O-])c(N)n3)CC2)cn1.
What is the InChIKey of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine?
The InChIKey is XINAWIYCMZIOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-24-15-5-2-12(10-18-15)25-11-6-8-20(9-7-11)14-4-3-13(21(22)23)16(17)19-14/h2-5,10-11H,6-9H2,1H3,(H2,17,19).
What are the key properties of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine?
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine has a molecular weight of 345.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-nitropyridin-2-amine is sourced from PubChem (CID 135154613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).