N-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine

C19H15N5O2 — CID 89371363

IUPACN-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine
SMILES[H]/N=C1\CCc2cc(Nc3c(-c4nc(C)no4)oc4cnccc34)ccc21
InChIInChI=1S/C19H15N5O2/c1-10-22-19(26-24-10)18-17(14-6-7-21-9-16(14)25-18)23-12-3-4-13-11(8-12)2-5-15(13)20/h3-4,6-9,20,23H,2,5H2,1H3/b20-15+
InChIKeyWLGOOZSRWMXVIV-HMMYKYKNSA-N
MW345.36 g/mol
LogP4.24
Rot. Bonds3

About N-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine

N-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine (PubChem CID 89371363) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine
PubChem CID89371363
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine
SMILES[H]/N=C1\CCc2cc(Nc3c(-c4nc(C)no4)oc4cnccc34)ccc21
InChIInChI=1S/C19H15N5O2/c1-10-22-19(26-24-10)18-17(14-6-7-21-9-16(14)25-18)23-12-3-4-13-11(8-12)2-5-15(13)20/h3-4,6-9,20,23H,2,5H2,1H3/b20-15+
InChIKeyWLGOOZSRWMXVIV-HMMYKYKNSA-N
XLogP4.24
TPSA100.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine?
The IUPAC name of N-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine (CID 89371363) is N-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine.
What is the SMILES notation for N-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine?
The canonical SMILES for N-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine is [H]/N=C1\CCc2cc(Nc3c(-c4nc(C)no4)oc4cnccc34)ccc21.
What is the InChIKey of N-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine?
The InChIKey is WLGOOZSRWMXVIV-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-10-22-19(26-24-10)18-17(14-6-7-21-9-16(14)25-18)23-12-3-4-13-11(8-12)2-5-15(13)20/h3-4,6-9,20,23H,2,5H2,1H3/b20-15+.
What are the key properties of N-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine?
N-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine has a molecular weight of 345.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine is sourced from PubChem (CID 89371363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).