N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide

C17H17ClFN3O2 — CID 129350369

IUPACN-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
SMILESO=C(CN1C[C@@H](O)C[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H17ClFN3O2/c18-12-3-6-16(20-8-12)21-17(24)10-22-9-14(23)7-15(22)11-1-4-13(19)5-2-11/h1-6,8,14-15,23H,7,9-10H2,(H,20,21,24)/t14-,15-/m0/s1
InChIKeyHURMJMUBGPUQIW-GJZGRUSLSA-N
MW349.79 g/mol
LogP2.62
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide

N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide (PubChem CID 129350369) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
PubChem CID129350369
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
SMILESO=C(CN1C[C@@H](O)C[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H17ClFN3O2/c18-12-3-6-16(20-8-12)21-17(24)10-22-9-14(23)7-15(22)11-1-4-13(19)5-2-11/h1-6,8,14-15,23H,7,9-10H2,(H,20,21,24)/t14-,15-/m0/s1
InChIKeyHURMJMUBGPUQIW-GJZGRUSLSA-N
XLogP2.62
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide (CID 129350369) is N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide is O=C(CN1C[C@@H](O)C[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
The InChIKey is HURMJMUBGPUQIW-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c18-12-3-6-16(20-8-12)21-17(24)10-22-9-14(23)7-15(22)11-1-4-13(19)5-2-11/h1-6,8,14-15,23H,7,9-10H2,(H,20,21,24)/t14-,15-/m0/s1.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide has a molecular weight of 349.79 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129350369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).