cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide

C22H19N3O — CID 40573364

IUPACcis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide
SMILESO=C(N/N=C(/c1ccccc1)c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C22H19N3O/c26-22(20-14-19(20)16-8-3-1-4-9-16)25-24-21(17-10-5-2-6-11-17)18-12-7-13-23-15-18/h1-13,15,19-20H,14H2,(H,25,26)/b24-21-/t19-,20-/m1/s1
InChIKeyQJWSRPGCTHQLEV-ZHOVJFMPSA-N
MW341.41 g/mol
LogP3.75
Rot. Bonds5

About cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide

cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide (PubChem CID 40573364) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide
PubChem CID40573364
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Namecis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide
SMILESO=C(N/N=C(/c1ccccc1)c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C22H19N3O/c26-22(20-14-19(20)16-8-3-1-4-9-16)25-24-21(17-10-5-2-6-11-17)18-12-7-13-23-15-18/h1-13,15,19-20H,14H2,(H,25,26)/b24-21-/t19-,20-/m1/s1
InChIKeyQJWSRPGCTHQLEV-ZHOVJFMPSA-N
XLogP3.75
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide
CID 40540652
2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 3097435
cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 129439028
cis-(1S,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 129360074
trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 904155
trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide
CID 7224859
4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 5058601
2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 6263609
2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide
CID 86777242
cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 840675
4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 4524840
trans-(1S,2S)-N-[(E)-1-cyclopropylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7203116

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide (CID 40573364) is cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide is O=C(N/N=C(/c1ccccc1)c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide?
The InChIKey is QJWSRPGCTHQLEV-ZHOVJFMPSA-N. The full InChI is InChI=1S/C22H19N3O/c26-22(20-14-19(20)16-8-3-1-4-9-16)25-24-21(17-10-5-2-6-11-17)18-12-7-13-23-15-18/h1-13,15,19-20H,14H2,(H,25,26)/b24-21-/t19-,20-/m1/s1.
What are the key properties of cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide is sourced from PubChem (CID 40573364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).