4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C24H23FN4O3 — CID 118046227

IUPAC4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1ncc([C@H]2CNC(=O)C2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1
InChIInChI=1S/C24H23FN4O3/c25-20-9-15(19-8-16(12-28-23(19)26)17-10-22(31)27-11-17)6-7-18(20)24(32)29-21(13-30)14-4-2-1-3-5-14/h1-9,12,17,21,30H,10-11,13H2,(H2,26,28)(H,27,31)(H,29,32)/t17-,21-/m1/s1
InChIKeyDQDBBPDVJUXCCY-DYESRHJHSA-N
MW434.47 g/mol
LogP2.54
Rot. Bonds6

About 4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 118046227) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID118046227
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1ncc([C@H]2CNC(=O)C2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1
InChIInChI=1S/C24H23FN4O3/c25-20-9-15(19-8-16(12-28-23(19)26)17-10-22(31)27-11-17)6-7-18(20)24(32)29-21(13-30)14-4-2-1-3-5-14/h1-9,12,17,21,30H,10-11,13H2,(H2,26,28)(H,27,31)(H,29,32)/t17-,21-/m1/s1
InChIKeyDQDBBPDVJUXCCY-DYESRHJHSA-N
XLogP2.54
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 118046227) is 4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is Nc1ncc([C@H]2CNC(=O)C2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1.
What is the InChIKey of 4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is DQDBBPDVJUXCCY-DYESRHJHSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-20-9-15(19-8-16(12-28-23(19)26)17-10-22(31)27-11-17)6-7-18(20)24(32)29-21(13-30)14-4-2-1-3-5-14/h1-9,12,17,21,30H,10-11,13H2,(H2,26,28)(H,27,31)(H,29,32)/t17-,21-/m1/s1.
What are the key properties of 4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 434.47 g/mol, XLogP of 2.54, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 118046227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).