N-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine

C25H18N4O — CID 59373927

IUPACN-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(Oc3ncccc3-c3cccc4cnccc34)cc2)nc1
InChIInChI=1S/C25H18N4O/c1-2-14-27-24(8-1)29-19-9-11-20(12-10-19)30-25-23(7-4-15-28-25)22-6-3-5-18-17-26-16-13-21(18)22/h1-17H,(H,27,29)
InChIKeyGHVPHZMCQNSHFW-UHFFFAOYSA-N
MW390.45 g/mol
LogP6.23
Rot. Bonds5

About N-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine

N-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine (PubChem CID 59373927) has the molecular formula C25H18N4O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
PubChem CID59373927
Molecular FormulaC25H18N4O
Molecular Weight390.45 g/mol
Exact Mass390.15
IUPAC NameN-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(Oc3ncccc3-c3cccc4cnccc34)cc2)nc1
InChIInChI=1S/C25H18N4O/c1-2-14-27-24(8-1)29-19-9-11-20(12-10-19)30-25-23(7-4-15-28-25)22-6-3-5-18-17-26-16-13-21(18)22/h1-17H,(H,27,29)
InChIKeyGHVPHZMCQNSHFW-UHFFFAOYSA-N
XLogP6.23
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The IUPAC name of N-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine (CID 59373927) is N-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine is c1ccc(Nc2ccc(Oc3ncccc3-c3cccc4cnccc34)cc2)nc1.
What is the InChIKey of N-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The InChIKey is GHVPHZMCQNSHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O/c1-2-14-27-24(8-1)29-19-9-11-20(12-10-19)30-25-23(7-4-15-28-25)22-6-3-5-18-17-26-16-13-21(18)22/h1-17H,(H,27,29).
What are the key properties of N-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
N-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine has a molecular weight of 390.45 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 59373927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).