trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide

C20H17N3O2 — CID 166194550

IUPACtrans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(Oc2cccnn2)c1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C20H17N3O2/c24-20(18-13-17(18)14-6-2-1-3-7-14)22-15-8-4-9-16(12-15)25-19-10-5-11-21-23-19/h1-12,17-18H,13H2,(H,22,24)/t17-,18+/m0/s1
InChIKeyVKWGVFWLLALHAK-ZWKOTPCHSA-N
MW331.38 g/mol
LogP4.01
Rot. Bonds5

About trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide (PubChem CID 166194550) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide
PubChem CID166194550
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Nametrans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(Oc2cccnn2)c1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C20H17N3O2/c24-20(18-13-17(18)14-6-2-1-3-7-14)22-15-8-4-9-16(12-15)25-19-10-5-11-21-23-19/h1-12,17-18H,13H2,(H,22,24)/t17-,18+/m0/s1
InChIKeyVKWGVFWLLALHAK-ZWKOTPCHSA-N
XLogP4.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119894501
N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119894510
(3S)-N-(3-pyridazin-3-yloxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 124607438
N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
sulfane;trans-(1S,2S)-N-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide
CID 159567121
2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride
CID 120801133
2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide
CID 119894522
2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride
CID 119894521
3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550074
cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 94096800
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide (CID 166194550) is trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide is O=C(Nc1cccc(Oc2cccnn2)c1)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is VKWGVFWLLALHAK-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20(18-13-17(18)14-6-2-1-3-7-14)22-15-8-4-9-16(12-15)25-19-10-5-11-21-23-19/h1-12,17-18H,13H2,(H,22,24)/t17-,18+/m0/s1.
What are the key properties of trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 166194550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).