cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide

C25H23N3O4 — CID 57388650

IUPACcis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)cc1OC
InChIInChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29)/t20-,25+/m0/s1
InChIKeyKNGMAZMILYCGQO-NBGIEHNGSA-N
MW429.48 g/mol
LogP3.95
Rot. Bonds8

About cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 57388650) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID57388650
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Namecis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)cc1OC
InChIInChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29)/t20-,25+/m0/s1
InChIKeyKNGMAZMILYCGQO-NBGIEHNGSA-N
XLogP3.95
TPSA93.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 57388342
2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide
CID 67473979
cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-(3,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide
CID 56944431
N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 76534203
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 67473925
cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[2-(3-cyclopropyl-5-methyl-1,2,4-triazol-1-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 57388568
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-4-methyl-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 67283149
cis-(1R,2S)-2-[(2-ethyl-4-methylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 67474062
N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 62880545
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
cis-(1R,2S)-N-(4,6-difluoro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide
CID 67282857
N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide (CID 57388650) is cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide is COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)cc1OC.
What is the InChIKey of cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is KNGMAZMILYCGQO-NBGIEHNGSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29)/t20-,25+/m0/s1.
What are the key properties of cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 57388650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).