N-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide

C17H15N3O3 — CID 91103910

IUPACN-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide
SMILESO=C(Nn1c(O)c2c(c1O)C1C=CC2C2CC12)c1cccnc1
InChIInChI=1S/C17H15N3O3/c21-15(8-2-1-5-18-7-8)19-20-16(22)13-9-3-4-10(12-6-11(9)12)14(13)17(20)23/h1-5,7,9-12,22-23H,6H2,(H,19,21)
InChIKeyQSEUOXORAGBDEB-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.06
Rot. Bonds2

About N-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide

N-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide (PubChem CID 91103910) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide
PubChem CID91103910
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide
SMILESO=C(Nn1c(O)c2c(c1O)C1C=CC2C2CC12)c1cccnc1
InChIInChI=1S/C17H15N3O3/c21-15(8-2-1-5-18-7-8)19-20-16(22)13-9-3-4-10(12-6-11(9)12)14(13)17(20)23/h1-5,7,9-12,22-23H,6H2,(H,19,21)
InChIKeyQSEUOXORAGBDEB-UHFFFAOYSA-N
XLogP2.06
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide (CID 91103910) is N-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide is O=C(Nn1c(O)c2c(c1O)C1C=CC2C2CC12)c1cccnc1.
What is the InChIKey of N-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide?
The InChIKey is QSEUOXORAGBDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-15(8-2-1-5-18-7-8)19-20-16(22)13-9-3-4-10(12-6-11(9)12)14(13)17(20)23/h1-5,7,9-12,22-23H,6H2,(H,19,21).
What are the key properties of N-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide?
N-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5,11-trien-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 91103910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).