15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene

C25H15N3O2 — CID 142726084

IUPAC15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
SMILESO=[N+]([O-])c1cccc2cc3c4c(cccc4c12)-c1ccccc1N3c1ccccn1
InChIInChI=1S/C25H15N3O2/c29-28(30)21-12-5-7-16-15-22-25-18(9-6-10-19(25)24(16)21)17-8-1-2-11-20(17)27(22)23-13-3-4-14-26-23/h1-15H
InChIKeyCKLZDZNISDTGBY-UHFFFAOYSA-N
MW389.41 g/mol
LogP6.75
Rot. Bonds2

About 15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene

15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene (PubChem CID 142726084) has the molecular formula C25H15N3O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is 15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene.

Molecular Properties

Compound Name15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
PubChem CID142726084
Molecular FormulaC25H15N3O2
Molecular Weight389.41 g/mol
Exact Mass389.12
IUPAC Name15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
SMILESO=[N+]([O-])c1cccc2cc3c4c(cccc4c12)-c1ccccc1N3c1ccccn1
InChIInChI=1S/C25H15N3O2/c29-28(30)21-12-5-7-16-15-22-25-18(9-6-10-19(25)24(16)21)17-8-1-2-11-20(17)27(22)23-13-3-4-14-26-23/h1-15H
InChIKeyCKLZDZNISDTGBY-UHFFFAOYSA-N
XLogP6.75
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 56.75
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene?
The IUPAC name of 15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene (CID 142726084) is 15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene.
What is the SMILES notation for 15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene?
The canonical SMILES for 15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene is O=[N+]([O-])c1cccc2cc3c4c(cccc4c12)-c1ccccc1N3c1ccccn1.
What is the InChIKey of 15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene?
The InChIKey is CKLZDZNISDTGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N3O2/c29-28(30)21-12-5-7-16-15-22-25-18(9-6-10-19(25)24(16)21)17-8-1-2-11-20(17)27(22)23-13-3-4-14-26-23/h1-15H.
What are the key properties of 15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene?
15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene has a molecular weight of 389.41 g/mol, XLogP of 6.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene is sourced from PubChem (CID 142726084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).