7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide

C12H11N3O2 — CID 45267842

IUPAC7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide
SMILES[H]/N=C(\N)c1ccc2cccc(C(=O)NO)c2c1
InChIInChI=1S/C12H11N3O2/c13-11(14)8-5-4-7-2-1-3-9(10(7)6-8)12(16)15-17/h1-6,17H,(H3,13,14)(H,15,16)
InChIKeyHATZQYOPSMRZJJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.24
Rot. Bonds2

About 7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide

7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide (PubChem CID 45267842) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide.

Molecular Properties

Compound Name7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide
PubChem CID45267842
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide
SMILES[H]/N=C(\N)c1ccc2cccc(C(=O)NO)c2c1
InChIInChI=1S/C12H11N3O2/c13-11(14)8-5-4-7-2-1-3-9(10(7)6-8)12(16)15-17/h1-6,17H,(H3,13,14)(H,15,16)
InChIKeyHATZQYOPSMRZJJ-UHFFFAOYSA-N
XLogP1.24
TPSA99.20 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide?
The IUPAC name of 7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide (CID 45267842) is 7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide.
What is the SMILES notation for 7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide?
The canonical SMILES for 7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide is [H]/N=C(\N)c1ccc2cccc(C(=O)NO)c2c1.
What is the InChIKey of 7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide?
The InChIKey is HATZQYOPSMRZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-11(14)8-5-4-7-2-1-3-9(10(7)6-8)12(16)15-17/h1-6,17H,(H3,13,14)(H,15,16).
What are the key properties of 7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide?
7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide is sourced from PubChem (CID 45267842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).