ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate

C25H24N2O3 — CID 42796826

IUPACethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(C(=O)c1ccncc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c1-2-30-25(29)23-16-21(23)17-27(24(28)20-12-14-26-15-13-20)22-10-8-19(9-11-22)18-6-4-3-5-7-18/h3-15,21,23H,2,16-17H2,1H3
InChIKeyQYLJWNYLFOICSI-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.59
Rot. Bonds7

About ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate

ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate (PubChem CID 42796826) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate
PubChem CID42796826
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Nameethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(C(=O)c1ccncc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c1-2-30-25(29)23-16-21(23)17-27(24(28)20-12-14-26-15-13-20)22-10-8-19(9-11-22)18-6-4-3-5-7-18/h3-15,21,23H,2,16-17H2,1H3
InChIKeyQYLJWNYLFOICSI-UHFFFAOYSA-N
XLogP4.59
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate 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

ethyl 2-[[4-phenyl-N-(quinoline-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate
CID 42796828
ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate
CID 42796798
ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate
CID 42796797
ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate
CID 42796795
ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate
CID 42791890
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
ethyl 2-benzoylcyclopropane-1-carboxylate
CID 15568394
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737
ethyl 4-[4-(N-[4-(4-ethoxycarbonylphenyl)phenyl]-4-phenylanilino)phenyl]benzoate
CID 14669998
cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate
CID 142479617
trans-ethyl (2S,4R)-4-(dibenzylamino)-2-ethylcyclopentane-1-carboxylate
CID 58010141

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate (CID 42796826) is ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1CN(C(=O)c1ccncc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate?
The InChIKey is QYLJWNYLFOICSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-2-30-25(29)23-16-21(23)17-27(24(28)20-12-14-26-15-13-20)22-10-8-19(9-11-22)18-6-4-3-5-7-18/h3-15,21,23H,2,16-17H2,1H3.
What are the key properties of ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate?
ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate has a molecular weight of 400.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 42796826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).