(NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

C21H16N4O2 — CID 53316583

IUPAC(NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1/CCc2cc(Nc3c(-c4cccnc4)oc4cnccc34)ccc21
InChIInChI=1S/C21H16N4O2/c26-25-18-6-3-13-10-15(4-5-16(13)18)24-20-17-7-9-23-12-19(17)27-21(20)14-2-1-8-22-11-14/h1-2,4-5,7-12,24,26H,3,6H2/b25-18-
InChIKeyJPAJXZKZKLHUQE-BWAHOGKJSA-N
MW356.39 g/mol
LogP4.76
Rot. Bonds3

About (NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

(NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 53316583) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is (NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID53316583
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name(NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1/CCc2cc(Nc3c(-c4cccnc4)oc4cnccc34)ccc21
InChIInChI=1S/C21H16N4O2/c26-25-18-6-3-13-10-15(4-5-16(13)18)24-20-17-7-9-23-12-19(17)27-21(20)14-2-1-8-22-11-14/h1-2,4-5,7-12,24,26H,3,6H2/b25-18-
InChIKeyJPAJXZKZKLHUQE-BWAHOGKJSA-N
XLogP4.76
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 53316583) is (NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is O/N=C1/CCc2cc(Nc3c(-c4cccnc4)oc4cnccc34)ccc21.
What is the InChIKey of (NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is JPAJXZKZKLHUQE-BWAHOGKJSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-25-18-6-3-13-10-15(4-5-16(13)18)24-20-17-7-9-23-12-19(17)27-21(20)14-2-1-8-22-11-14/h1-2,4-5,7-12,24,26H,3,6H2/b25-18-.
What are the key properties of (NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 356.39 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 53316583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).