1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide

C24H23N3O2 — CID 108976890

IUPAC1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1cccnc1)C1(C(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H23N3O2/c28-22(26-17-20-10-7-15-25-16-20)24(13-14-24)23(29)27(21-11-5-2-6-12-21)18-19-8-3-1-4-9-19/h1-12,15-16H,13-14,17-18H2,(H,26,28)
InChIKeyUCMKESJSGZTPFW-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.71
Rot. Bonds7

About 1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide

1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108976890) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108976890
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1cccnc1)C1(C(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H23N3O2/c28-22(26-17-20-10-7-15-25-16-20)24(13-14-24)23(29)27(21-11-5-2-6-12-21)18-19-8-3-1-4-9-19/h1-12,15-16H,13-14,17-18H2,(H,26,28)
InChIKeyUCMKESJSGZTPFW-UHFFFAOYSA-N
XLogP3.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide 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

1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108974862
1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108975315
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970227
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
1-[(E)-N'-hydroxycarbamimidoyl]-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 80591201
N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46046086
1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 108976826
N-benzyl-3-fluoro-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 46046079
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 42859312

Frequently Asked Questions

What is the IUPAC name of 1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide (CID 108976890) is 1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide is O=C(NCc1cccnc1)C1(C(=O)N(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is UCMKESJSGZTPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-22(26-17-20-10-7-15-25-16-20)24(13-14-24)23(29)27(21-11-5-2-6-12-21)18-19-8-3-1-4-9-19/h1-12,15-16H,13-14,17-18H2,(H,26,28).
What are the key properties of 1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide?
1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108976890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).