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N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

C16H20FN5O — CID 125013153

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc([C@@H]2CCN(Cc3ccc(F)cn3)C2)[nH]1
InChIInChI=1S/C16H20FN5O/c1-11(23)18-7-15-8-20-16(21-15)12-4-5-22(9-12)10-14-3-2-13(17)6-19-14/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,18,23)(H,20,21)/t12-/m1/s1
InChIKeyWDEDWIRHMQQXQL-GFCCVEGCSA-N
MW317.37 g/mol
LogP1.57
Rot. Bonds5

About N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (PubChem CID 125013153) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
PubChem CID125013153
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC NameN-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc([C@@H]2CCN(Cc3ccc(F)cn3)C2)[nH]1
InChIInChI=1S/C16H20FN5O/c1-11(23)18-7-15-8-20-16(21-15)12-4-5-22(9-12)10-14-3-2-13(17)6-19-14/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,18,23)(H,20,21)/t12-/m1/s1
InChIKeyWDEDWIRHMQQXQL-GFCCVEGCSA-N
XLogP1.57
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (CID 125013153) is N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is CC(=O)NCc1cnc([C@@H]2CCN(Cc3ccc(F)cn3)C2)[nH]1.
What is the InChIKey of N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The InChIKey is WDEDWIRHMQQXQL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-11(23)18-7-15-8-20-16(21-15)12-4-5-22(9-12)10-14-3-2-13(17)6-19-14/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,18,23)(H,20,21)/t12-/m1/s1.
What are the key properties of N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide has a molecular weight of 317.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 125013153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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