4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide

C17H13N7O2 — CID 137305804

IUPAC4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(-c2nnc(-c3cnc(N)c4ncccc34)o2)cc1
InChIInChI=1S/C17H13N7O2/c18-14(24-25)9-3-5-10(6-4-9)16-22-23-17(26-16)12-8-21-15(19)13-11(12)2-1-7-20-13/h1-8,25H,(H2,18,24)(H2,19,21)
InChIKeyIRMFPWDTNNDJSW-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.02
Rot. Bonds3

About 4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide

4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide (PubChem CID 137305804) has the molecular formula C17H13N7O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide
PubChem CID137305804
Molecular FormulaC17H13N7O2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(-c2nnc(-c3cnc(N)c4ncccc34)o2)cc1
InChIInChI=1S/C17H13N7O2/c18-14(24-25)9-3-5-10(6-4-9)16-22-23-17(26-16)12-8-21-15(19)13-11(12)2-1-7-20-13/h1-8,25H,(H2,18,24)(H2,19,21)
InChIKeyIRMFPWDTNNDJSW-UHFFFAOYSA-N
XLogP2.02
TPSA149.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide (CID 137305804) is 4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(-c2nnc(-c3cnc(N)c4ncccc34)o2)cc1.
What is the InChIKey of 4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is IRMFPWDTNNDJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O2/c18-14(24-25)9-3-5-10(6-4-9)16-22-23-17(26-16)12-8-21-15(19)13-11(12)2-1-7-20-13/h1-8,25H,(H2,18,24)(H2,19,21).
What are the key properties of 4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide?
4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 347.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 137305804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).