N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C19H22N4O2 — CID 119894510

IUPACN-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(Oc2cccnn2)c1)C1CC2CCCCC2N1
InChIInChI=1S/C19H22N4O2/c24-19(17-11-13-5-1-2-8-16(13)22-17)21-14-6-3-7-15(12-14)25-18-9-4-10-20-23-18/h3-4,6-7,9-10,12-13,16-17,22H,1-2,5,8,11H2,(H,21,24)
InChIKeyKXRZAZOVWYSHQX-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.13
Rot. Bonds4

About N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119894510) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119894510
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(Oc2cccnn2)c1)C1CC2CCCCC2N1
InChIInChI=1S/C19H22N4O2/c24-19(17-11-13-5-1-2-8-16(13)22-17)21-14-6-3-7-15(12-14)25-18-9-4-10-20-23-18/h3-4,6-7,9-10,12-13,16-17,22H,1-2,5,8,11H2,(H,21,24)
InChIKeyKXRZAZOVWYSHQX-UHFFFAOYSA-N
XLogP3.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119872975
N-(3-propoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119284767
trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide
CID 166194550
N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24699251
3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119894501
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119284193
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)benzoic acid
CID 61157479
N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470767
N-(3,4-dichlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43103078
N-[3-(2-methoxyphenyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119281223
N-(4-carbamoyl-3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119318631
N-[3-(phenylsulfamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119283949

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119894510) is N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is O=C(Nc1cccc(Oc2cccnn2)c1)C1CC2CCCCC2N1.
What is the InChIKey of N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is KXRZAZOVWYSHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(17-11-13-5-1-2-8-16(13)22-17)21-14-6-3-7-15(12-14)25-18-9-4-10-20-23-18/h3-4,6-7,9-10,12-13,16-17,22H,1-2,5,8,11H2,(H,21,24).
What are the key properties of N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119894510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).