N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide

C23H24N4O3 — CID 90335175

IUPACN-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(OCC(O)CN2CCc3ccccc3C2)c1)c1cccnn1
InChIInChI=1S/C23H24N4O3/c28-20(15-27-12-10-17-5-1-2-6-18(17)14-27)16-30-21-8-3-7-19(13-21)25-23(29)22-9-4-11-24-26-22/h1-9,11,13,20,28H,10,12,14-16H2,(H,25,29)
InChIKeyLUWACMKNDCXSOW-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.53
Rot. Bonds7

About N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide

N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide (PubChem CID 90335175) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide
PubChem CID90335175
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(OCC(O)CN2CCc3ccccc3C2)c1)c1cccnn1
InChIInChI=1S/C23H24N4O3/c28-20(15-27-12-10-17-5-1-2-6-18(17)14-27)16-30-21-8-3-7-19(13-21)25-23(29)22-9-4-11-24-26-22/h1-9,11,13,20,28H,10,12,14-16H2,(H,25,29)
InChIKeyLUWACMKNDCXSOW-UHFFFAOYSA-N
XLogP2.53
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide (CID 90335175) is N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide is O=C(Nc1cccc(OCC(O)CN2CCc3ccccc3C2)c1)c1cccnn1.
What is the InChIKey of N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide?
The InChIKey is LUWACMKNDCXSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-20(15-27-12-10-17-5-1-2-6-18(17)14-27)16-30-21-8-3-7-19(13-21)25-23(29)22-9-4-11-24-26-22/h1-9,11,13,20,28H,10,12,14-16H2,(H,25,29).
What are the key properties of N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide?
N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 90335175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).