4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide

C25H24F2N4O2 — CID 67537184

IUPAC4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
SMILESNC(c1ccc(C(=O)Nc2ccncc2)cc1)C1CCCN1C(=O)Cc1cccc(F)c1F
InChIInChI=1S/C25H24F2N4O2/c26-20-4-1-3-18(23(20)27)15-22(32)31-14-2-5-21(31)24(28)16-6-8-17(9-7-16)25(33)30-19-10-12-29-13-11-19/h1,3-4,6-13,21,24H,2,5,14-15,28H2,(H,29,30,33)
InChIKeyJQWKWGRKZHOVNG-UHFFFAOYSA-N
MW450.49 g/mol
LogP3.85
Rot. Bonds6

About 4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide

4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide (PubChem CID 67537184) has the molecular formula C25H24F2N4O2 and a molecular weight of 450.49 g/mol. Its IUPAC name is 4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
PubChem CID67537184
Molecular FormulaC25H24F2N4O2
Molecular Weight450.49 g/mol
Exact Mass450.19
IUPAC Name4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
SMILESNC(c1ccc(C(=O)Nc2ccncc2)cc1)C1CCCN1C(=O)Cc1cccc(F)c1F
InChIInChI=1S/C25H24F2N4O2/c26-20-4-1-3-18(23(20)27)15-22(32)31-14-2-5-21(31)24(28)16-6-8-17(9-7-16)25(33)30-19-10-12-29-13-11-19/h1,3-4,6-13,21,24H,2,5,14-15,28H2,(H,29,30,33)
InChIKeyJQWKWGRKZHOVNG-UHFFFAOYSA-N
XLogP3.85
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[amino-[1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67538294
4-[amino-[1-(2-cyclohexyl-2-phenylacetyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67537013
4-[amino-[1-(2-ethyl-2-phenylbutanoyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67535709
4-[amino-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67536728
4-[amino-[1-[2-(2,4-difluorophenyl)-2-methylpropanoyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67538695
4-[amino-[1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67537341
4-[amino-[1-(2-methyl-2-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67537559
4-[(S)-amino-[1-(2,3-dihydro-1H-inden-1-ylmethyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 71220544
4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
CID 11149812
4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide
CID 15982501
4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 59419418
4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67549543

Frequently Asked Questions

What is the IUPAC name of 4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide (CID 67537184) is 4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide is NC(c1ccc(C(=O)Nc2ccncc2)cc1)C1CCCN1C(=O)Cc1cccc(F)c1F.
What is the InChIKey of 4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide?
The InChIKey is JQWKWGRKZHOVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O2/c26-20-4-1-3-18(23(20)27)15-22(32)31-14-2-5-21(31)24(28)16-6-8-17(9-7-16)25(33)30-19-10-12-29-13-11-19/h1,3-4,6-13,21,24H,2,5,14-15,28H2,(H,29,30,33).
What are the key properties of 4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide?
4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide has a molecular weight of 450.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[1-[2-(2,3-difluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 67537184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).