5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide

C23H24FN3O3 — CID 139012930

IUPAC5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)NC3CCN(c4ncccc4F)C3)o2)c(C)c1
InChIInChI=1S/C23H24FN3O3/c1-15-5-7-20(16(2)12-15)29-14-18-6-8-21(30-18)23(28)26-17-9-11-27(13-17)22-19(24)4-3-10-25-22/h3-8,10,12,17H,9,11,13-14H2,1-2H3,(H,26,28)
InChIKeySNIZGBMWAFHZFH-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.02
Rot. Bonds6

About 5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide

5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 139012930) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide
PubChem CID139012930
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)NC3CCN(c4ncccc4F)C3)o2)c(C)c1
InChIInChI=1S/C23H24FN3O3/c1-15-5-7-20(16(2)12-15)29-14-18-6-8-21(30-18)23(28)26-17-9-11-27(13-17)22-19(24)4-3-10-25-22/h3-8,10,12,17H,9,11,13-14H2,1-2H3,(H,26,28)
InChIKeySNIZGBMWAFHZFH-UHFFFAOYSA-N
XLogP4.02
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide (CID 139012930) is 5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)NC3CCN(c4ncccc4F)C3)o2)c(C)c1.
What is the InChIKey of 5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is SNIZGBMWAFHZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-15-5-7-20(16(2)12-15)29-14-18-6-8-21(30-18)23(28)26-17-9-11-27(13-17)22-19(24)4-3-10-25-22/h3-8,10,12,17H,9,11,13-14H2,1-2H3,(H,26,28).
What are the key properties of 5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide?
5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 139012930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).