1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide

C19H19F2N3O2 — CID 108977917

IUPAC1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)C1(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C19H19F2N3O2/c1-24(12-7-13-5-10-22-11-6-13)18(26)19(8-9-19)17(25)23-16-14(20)3-2-4-15(16)21/h2-6,10-11H,7-9,12H2,1H3,(H,23,25)
InChIKeyRKXHLZFLGDDJDG-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.78
Rot. Bonds6

About 1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide

1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108977917) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108977917
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)C1(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C19H19F2N3O2/c1-24(12-7-13-5-10-22-11-6-13)18(26)19(8-9-19)17(25)23-16-14(20)3-2-4-15(16)21/h2-6,10-11H,7-9,12H2,1H3,(H,23,25)
InChIKeyRKXHLZFLGDDJDG-UHFFFAOYSA-N
XLogP2.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
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'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979974
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977816
1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977845
1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977897
1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977831
1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973247
N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108522052
4-(2,6-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214723
N-(2,6-difluorophenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214812
1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983822
1-N'-(2,6-difluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975193
2-N-(2-fluorophenyl)-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098699

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide (CID 108977917) is 1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide is CN(CCc1ccncc1)C(=O)C1(C(=O)Nc2c(F)cccc2F)CC1.
What is the InChIKey of 1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is RKXHLZFLGDDJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-24(12-7-13-5-10-22-11-6-13)18(26)19(8-9-19)17(25)23-16-14(20)3-2-4-15(16)21/h2-6,10-11H,7-9,12H2,1H3,(H,23,25).
What are the key properties of 1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 359.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).