4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;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-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide

C108H86N36O9S — CID 157350047

About 4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;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-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide

4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;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-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide (PubChem CID 157350047) has the molecular formula C108H86N36O9S and a molecular weight of 2064.19 g/mol. Its IUPAC name is 4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;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-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

• Compound Name: 4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;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-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide
• PubChem CID: 157350047
• Molecular Formula: C108H86N36O9S
• Molecular Weight: 2064.19 g/mol
• Exact Mass: 2062.71
• IUPAC Name: 4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;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-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide
• SMILES: NC(=NO)c1ccc(-c2ccc(-c3cnc(N)c4ccccc34)cn2)cc1.NC(=NO)c1ccc(-c2csc(-c3cnc(N)c4ncccc34)n2)cc1.NC(=NO)c1ccc(-c2nc(-c3cnc(N)c4ncccc34)no2)cc1.NC(=NO)c1ccc(-c2ncc(-c3cnc(N)c4ncccc34)o2)cc1.NC(=NO)c1ccc(-c2nnc(-c3cnc(N)c4ncccc34)o2)cc1.NC(=NO)c1ccc(/C=C/c2cnc(N)c3ncccc23)cc1
• InChI: InChI=1S/C21H17N5O.C18H14N6O2.C18H14N6OS.2C17H13N7O2.C17H15N5O/c22-20(26-27)14-7-5-13(6-8-14)19-10-9-15(11-24-19)18-12-25-21(23)17-4-2-1-3-16(17)18;19-16(24-25)10-3-5-11(6-4-10)18-23-9-14(26-18)13-8-22-17(20)15-12(13)2-1-7-21-15;19-16(24-25)11-5-3-10(4-6-11)14-9-26-18(23-14)13-8-22-17(20)15-12(13)2-1-7-21-15;18-14(23-25)9-3-5-10(6-4-9)17-22-16(24-26-17)12-8-21-15(19)13-11(12)2-1-7-20-13;18-14(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;18-16(22-23)12-6-3-11(4-7-12)5-8-13-10-21-17(19)15-14(13)2-1-9-20-15/h1-12,27H,(H2,22,26)(H2,23,25);2*1-9,25H,(H2,19,24)(H2,20,22);1-8,25H,(H2,18,23)(H2,19,21);1-8,25H,(H2,18,24)(H2,19,21);1-10,23H,(H2,18,22)(H2,19,21)/b;;;;;8-5+
• InChIKey: BHKPPRRVPWDYKR-VTYCSOMGSA-N
• XLogP: 15.89
• TPSA: 779.22 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 40
• Rotatable Bonds: 18
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2064.19
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	40

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'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;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-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide?

The IUPAC name of 4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;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-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide (CID 157350047) is 4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;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-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide.

What is the SMILES notation for 4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;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-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide?

The canonical SMILES for 4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;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-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(-c2ccc(-c3cnc(N)c4ccccc34)cn2)cc1.NC(=NO)c1ccc(-c2csc(-c3cnc(N)c4ncccc34)n2)cc1.NC(=NO)c1ccc(-c2nc(-c3cnc(N)c4ncccc34)no2)cc1.NC(=NO)c1ccc(-c2ncc(-c3cnc(N)c4ncccc34)o2)cc1.NC(=NO)c1ccc(-c2nnc(-c3cnc(N)c4ncccc34)o2)cc1.NC(=NO)c1ccc(/C=C/c2cnc(N)c3ncccc23)cc1.

What is the InChIKey of 4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;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-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide?

The InChIKey is BHKPPRRVPWDYKR-VTYCSOMGSA-N. The full InChI is InChI=1S/C21H17N5O.C18H14N6O2.C18H14N6OS.2C17H13N7O2.C17H15N5O/c22-20(26-27)14-7-5-13(6-8-14)19-10-9-15(11-24-19)18-12-25-21(23)17-4-2-1-3-16(17)18;19-16(24-25)10-3-5-11(6-4-10)18-23-9-14(26-18)13-8-22-17(20)15-12(13)2-1-7-21-15;19-16(24-25)11-5-3-10(4-6-11)14-9-26-18(23-14)13-8-22-17(20)15-12(13)2-1-7-21-15;18-14(23-25)9-3-5-10(6-4-9)17-22-16(24-26-17)12-8-21-15(19)13-11(12)2-1-7-20-13;18-14(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;18-16(22-23)12-6-3-11(4-7-12)5-8-13-10-21-17(19)15-14(13)2-1-9-20-15/h1-12,27H,(H2,22,26)(H2,23,25);2*1-9,25H,(H2,19,24)(H2,20,22);1-8,25H,(H2,18,23)(H2,19,21);1-8,25H,(H2,18,24)(H2,19,21);1-10,23H,(H2,18,22)(H2,19,21)/b;;;;;8-5+.

What are the key properties of 4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;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-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide?

4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;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-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 2064.19 g/mol, XLogP of 15.89, 18 rotatable bonds, 18 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;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-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 157350047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).