1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide

C15H22N4O2 — CID 108973418

IUPAC1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESCN(C)CCNC(=O)C1(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C15H22N4O2/c1-19(2)10-9-17-13(20)15(6-7-15)14(21)18-11-12-5-3-4-8-16-12/h3-5,8H,6-7,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyRIMZSVVEFNCPIE-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.16
Rot. Bonds7

About 1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide

1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108973418) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108973418
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESCN(C)CCNC(=O)C1(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C15H22N4O2/c1-19(2)10-9-17-13(20)15(6-7-15)14(21)18-11-12-5-3-4-8-16-12/h3-5,8H,6-7,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyRIMZSVVEFNCPIE-UHFFFAOYSA-N
XLogP0.16
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970618
1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976686
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-carbamothioyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80592731
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108973730
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 80599426

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide (CID 108973418) is 1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide is CN(C)CCNC(=O)C1(C(=O)NCc2ccccn2)CC1.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is RIMZSVVEFNCPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-19(2)10-9-17-13(20)15(6-7-15)14(21)18-11-12-5-3-4-8-16-12/h3-5,8H,6-7,9-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).