cis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide

C22H20N2O2 — CID 118716936

IUPACcis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccn1)[C@@H]1C[C@@]1(COc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O2/c25-21(24-20-13-7-8-14-23-20)19-15-22(19,17-9-3-1-4-10-17)16-26-18-11-5-2-6-12-18/h1-14,19H,15-16H2,(H,23,24,25)/t19-,22+/m0/s1
InChIKeyLAKQOAUEGYDUHQ-SIKLNZKXSA-N
MW344.41 g/mol
LogP4.06
Rot. Bonds6

About cis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide

cis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide (PubChem CID 118716936) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is cis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
PubChem CID118716936
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Namecis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccn1)[C@@H]1C[C@@]1(COc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O2/c25-21(24-20-13-7-8-14-23-20)19-15-22(19,17-9-3-1-4-10-17)16-26-18-11-5-2-6-12-18/h1-14,19H,15-16H2,(H,23,24,25)/t19-,22+/m0/s1
InChIKeyLAKQOAUEGYDUHQ-SIKLNZKXSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide (CID 118716936) is cis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide is O=C(Nc1ccccn1)[C@@H]1C[C@@]1(COc1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
The InChIKey is LAKQOAUEGYDUHQ-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-21(24-20-13-7-8-14-23-20)19-15-22(19,17-9-3-1-4-10-17)16-26-18-11-5-2-6-12-18/h1-14,19H,15-16H2,(H,23,24,25)/t19-,22+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(phenoxymethyl)-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 118716936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).