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

C17H17N3O — CID 40540652

IUPACcis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide
SMILESC/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccnc1
InChIInChI=1S/C17H17N3O/c1-12(14-8-5-9-18-11-14)19-20-17(21)16-10-15(16)13-6-3-2-4-7-13/h2-9,11,15-16H,10H2,1H3,(H,20,21)/b19-12-/t15-,16-/m1/s1
InChIKeyAFTLNAQILZSRJQ-OJTJRJJXSA-N
MW279.34 g/mol
LogP2.73
Rot. Bonds4

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

cis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide (PubChem CID 40540652) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is cis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide
PubChem CID40540652
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Namecis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide
SMILESC/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccnc1
InChIInChI=1S/C17H17N3O/c1-12(14-8-5-9-18-11-14)19-20-17(21)16-10-15(16)13-6-3-2-4-7-13/h2-9,11,15-16H,10H2,1H3,(H,20,21)/b19-12-/t15-,16-/m1/s1
InChIKeyAFTLNAQILZSRJQ-OJTJRJJXSA-N
XLogP2.73
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.73
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

2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 3097435
cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 129439028
cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide
CID 40573364
cis-(1R,2S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907421
trans-(1R,2R)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40522727
cis-(1R,2S)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40522725
trans-(1R,2R)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73353906
trans-(1R,2R)-N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73353905
trans-(1S,2S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7296073
cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40555202
cis-(1S,2R)-N-[(Z)-1-(3,4-dihydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 136668784
2-phenyl-N-[1-(4-propan-2-ylphenyl)ethylideneamino]cyclopropane-1-carboxamide
CID 4112006

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide (CID 40540652) is cis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide is C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccnc1.
What is the InChIKey of cis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide?
The InChIKey is AFTLNAQILZSRJQ-OJTJRJJXSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(14-8-5-9-18-11-14)19-20-17(21)16-10-15(16)13-6-3-2-4-7-13/h2-9,11,15-16H,10H2,1H3,(H,20,21)/b19-12-/t15-,16-/m1/s1.
What are the key properties of cis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.73, 4 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)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 40540652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).