2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide

C11H12N8O2 — CID 137159795

IUPAC2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide
SMILES[H]/N=N/NC(=O)C1=C(CN=[N+]=[N-])Nc2ccnc(OC)c2C1
InChIInChI=1S/C11H12N8O2/c1-21-11-7-4-6(10(20)17-19-13)9(5-15-18-12)16-8(7)2-3-14-11/h2-3,16H,4-5H2,1H3,(H2,13,17,20)
InChIKeyYBSJRGJWNMOHNZ-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.68
Rot. Bonds5

About 2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide

2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide (PubChem CID 137159795) has the molecular formula C11H12N8O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide
PubChem CID137159795
Molecular FormulaC11H12N8O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide
SMILES[H]/N=N/NC(=O)C1=C(CN=[N+]=[N-])Nc2ccnc(OC)c2C1
InChIInChI=1S/C11H12N8O2/c1-21-11-7-4-6(10(20)17-19-13)9(5-15-18-12)16-8(7)2-3-14-11/h2-3,16H,4-5H2,1H3,(H2,13,17,20)
InChIKeyYBSJRGJWNMOHNZ-UHFFFAOYSA-N
XLogP1.68
TPSA148.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide (CID 137159795) is 2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide is [H]/N=N/NC(=O)C1=C(CN=[N+]=[N-])Nc2ccnc(OC)c2C1.
What is the InChIKey of 2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The InChIKey is YBSJRGJWNMOHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8O2/c1-21-11-7-4-6(10(20)17-19-13)9(5-15-18-12)16-8(7)2-3-14-11/h2-3,16H,4-5H2,1H3,(H2,13,17,20).
What are the key properties of 2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-N-diazenyl-5-methoxy-1,4-dihydro-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 137159795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).