1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide

C17H15F2N3O2 — CID 109137322

IUPAC1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCc1ccncc1)C1CC1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H15F2N3O2/c18-13-2-1-3-14(19)15(13)22-17(24)12-8-11(12)16(23)21-9-10-4-6-20-7-5-10/h1-7,11-12H,8-9H2,(H,21,23)(H,22,24)
InChIKeyXYZOHMTUTAUXFM-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.25
Rot. Bonds5

About 1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide

1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109137322) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is 1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109137322
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCc1ccncc1)C1CC1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H15F2N3O2/c18-13-2-1-3-14(19)15(13)22-17(24)12-8-11(12)16(23)21-9-10-4-6-20-7-5-10/h1-7,11-12H,8-9H2,(H,21,23)(H,22,24)
InChIKeyXYZOHMTUTAUXFM-UHFFFAOYSA-N
XLogP2.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137244
2-N-(pyridin-4-ylmethyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137238
1-N-(3-chloro-4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137252
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137231
1-N-(2-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137236
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137253
2-amino-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 82237334
N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963792
1-N-[2,6-di(propan-2-yl)phenyl]-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135996
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137304
2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 109132206

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109137322) is 1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide is O=C(NCc1ccncc1)C1CC1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is XYZOHMTUTAUXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c18-13-2-1-3-14(19)15(13)22-17(24)12-8-11(12)16(23)21-9-10-4-6-20-7-5-10/h1-7,11-12H,8-9H2,(H,21,23)(H,22,24).
What are the key properties of 1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 331.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).