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

C14H17N3O2 — CID 108970618

IUPAC1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1ccccn1)C1(C(=O)NC2CC2)CC1
InChIInChI=1S/C14H17N3O2/c18-12(16-9-11-3-1-2-8-15-11)14(6-7-14)13(19)17-10-4-5-10/h1-3,8,10H,4-7,9H2,(H,16,18)(H,17,19)
InChIKeyAXPFQRZMCGAXIJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.76
Rot. Bonds5

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

1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108970618) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108970618
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1ccccn1)C1(C(=O)NC2CC2)CC1
InChIInChI=1S/C14H17N3O2/c18-12(16-9-11-3-1-2-8-15-11)14(6-7-14)13(19)17-10-4-5-10/h1-3,8,10H,4-7,9H2,(H,16,18)(H,17,19)
InChIKeyAXPFQRZMCGAXIJ-UHFFFAOYSA-N
XLogP0.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.76
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
1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973418
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
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'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976686
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976771
1-N'-(2-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976705
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
1-carbamothioyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80592731
1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976751
6-N-cyclopropyl-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093842

Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide (CID 108970618) is 1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide is O=C(NCc1ccccn1)C1(C(=O)NC2CC2)CC1.
What is the InChIKey of 1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is AXPFQRZMCGAXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-12(16-9-11-3-1-2-8-15-11)14(6-7-14)13(19)17-10-4-5-10/h1-3,8,10H,4-7,9H2,(H,16,18)(H,17,19).
What are the key properties of 1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).