4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid

C17H16N6O4 — CID 71068503

IUPAC4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2c(-c3ccccn3)nc3cc([N+](=O)[O-])cnc32)CC1
InChIInChI=1S/C17H16N6O4/c24-17(25)21-7-4-11(5-8-21)22-15-14(9-12(10-19-15)23(26)27)20-16(22)13-3-1-2-6-18-13/h1-3,6,9-11H,4-5,7-8H2,(H,24,25)
InChIKeyFBTPICOYFAKPLY-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.72
Rot. Bonds3

About 4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid

4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid (PubChem CID 71068503) has the molecular formula C17H16N6O4 and a molecular weight of 368.35 g/mol. Its IUPAC name is 4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid
PubChem CID71068503
Molecular FormulaC17H16N6O4
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2c(-c3ccccn3)nc3cc([N+](=O)[O-])cnc32)CC1
InChIInChI=1S/C17H16N6O4/c24-17(25)21-7-4-11(5-8-21)22-15-14(9-12(10-19-15)23(26)27)20-16(22)13-3-1-2-6-18-13/h1-3,6,9-11H,4-5,7-8H2,(H,24,25)
InChIKeyFBTPICOYFAKPLY-UHFFFAOYSA-N
XLogP2.72
TPSA127.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid (CID 71068503) is 4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(n2c(-c3ccccn3)nc3cc([N+](=O)[O-])cnc32)CC1.
What is the InChIKey of 4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid?
The InChIKey is FBTPICOYFAKPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O4/c24-17(25)21-7-4-11(5-8-21)22-15-14(9-12(10-19-15)23(26)27)20-16(22)13-3-1-2-6-18-13/h1-3,6,9-11H,4-5,7-8H2,(H,24,25).
What are the key properties of 4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid?
4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid has a molecular weight of 368.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-nitro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 71068503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).