cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide

C20H23N3O3 — CID 97007262

IUPACcis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2C[C@@H]2c2cccnc2)c1C
InChIInChI=1S/C20H23N3O3/c1-12-6-4-8-18(13(12)2)26-14(3)19(24)22-23-20(25)17-10-16(17)15-7-5-9-21-11-15/h4-9,11,14,16-17H,10H2,1-3H3,(H,22,24)(H,23,25)/t14-,16-,17-/m1/s1
InChIKeyYQYGFLQMGAYMHM-DJIMGWMZSA-N
MW353.42 g/mol
LogP2.42
Rot. Bonds5

About cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide

cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide (PubChem CID 97007262) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Namecis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide
PubChem CID97007262
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Namecis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2C[C@@H]2c2cccnc2)c1C
InChIInChI=1S/C20H23N3O3/c1-12-6-4-8-18(13(12)2)26-14(3)19(24)22-23-20(25)17-10-16(17)15-7-5-9-21-11-15/h4-9,11,14,16-17H,10H2,1-3H3,(H,22,24)(H,23,25)/t14-,16-,17-/m1/s1
InChIKeyYQYGFLQMGAYMHM-DJIMGWMZSA-N
XLogP2.42
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide 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

N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide
CID 51155331
2-(2,3-dimethylphenoxy)-N-pyridin-3-ylpropanamide
CID 43875980
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
(2R)-N-cyclopropyl-2-(2,3-dimethylphenoxy)propanamide
CID 39717598
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 43058759
2-(2,3-dimethylphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 24634640
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
tert-butyl 4-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamoyl]piperidine-1-carboxylate
CID 9425375
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
CID 55650544
methyl (2R)-3,3-dimethyl-2-[[(1R,2R)-2-pyridin-3-ylcyclopropanecarbonyl]amino]butanoate
CID 129428950

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide?
The IUPAC name of cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide (CID 97007262) is cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide.
What is the SMILES notation for cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide?
The canonical SMILES for cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide is Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2C[C@@H]2c2cccnc2)c1C.
What is the InChIKey of cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide?
The InChIKey is YQYGFLQMGAYMHM-DJIMGWMZSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-6-4-8-18(13(12)2)26-14(3)19(24)22-23-20(25)17-10-16(17)15-7-5-9-21-11-15/h4-9,11,14,16-17H,10H2,1-3H3,(H,22,24)(H,23,25)/t14-,16-,17-/m1/s1.
What are the key properties of cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide?
cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide has a molecular weight of 353.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 97007262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).