1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide

C21H25N3O2 — CID 108976686

IUPAC1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C21H25N3O2/c1-3-15-8-7-9-16(4-2)18(15)24-20(26)21(11-12-21)19(25)23-14-17-10-5-6-13-22-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyATGDTHRNDNSICM-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.24
Rot. Bonds7

About 1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide

1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108976686) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108976686
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C21H25N3O2/c1-3-15-8-7-9-16(4-2)18(15)24-20(26)21(11-12-21)19(25)23-14-17-10-5-6-13-22-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyATGDTHRNDNSICM-UHFFFAOYSA-N
XLogP3.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(2,6-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976677
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
1-N'-(2-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976705
1-N'-(2-fluorophenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976690
1-N'-(4-chlorophenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976694
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976771
1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973418
1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970618
1-N'-(2,6-diethylphenyl)-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976338
N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023379
1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970496
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 80599426

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide (CID 108976686) is 1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide is CCc1cccc(CC)c1NC(=O)C1(C(=O)NCc2ccccn2)CC1.
What is the InChIKey of 1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is ATGDTHRNDNSICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-15-8-7-9-16(4-2)18(15)24-20(26)21(11-12-21)19(25)23-14-17-10-5-6-13-22-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108976686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).