N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide

C18H20FN3O2 — CID 54583835

IUPACN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1cc(F)ccc1-c1cncc(CNC(=O)N2CCCC2)c1
InChIInChI=1S/C18H20FN3O2/c1-24-17-9-15(19)4-5-16(17)14-8-13(10-20-12-14)11-21-18(23)22-6-2-3-7-22/h4-5,8-10,12H,2-3,6-7,11H2,1H3,(H,21,23)
InChIKeyGSZNDTFUTUMJGR-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.20
Rot. Bonds4

About N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide

N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 54583835) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
PubChem CID54583835
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1cc(F)ccc1-c1cncc(CNC(=O)N2CCCC2)c1
InChIInChI=1S/C18H20FN3O2/c1-24-17-9-15(19)4-5-16(17)14-8-13(10-20-12-14)11-21-18(23)22-6-2-3-7-22/h4-5,8-10,12H,2-3,6-7,11H2,1H3,(H,21,23)
InChIKeyGSZNDTFUTUMJGR-UHFFFAOYSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide (CID 54583835) is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide is COc1cc(F)ccc1-c1cncc(CNC(=O)N2CCCC2)c1.
What is the InChIKey of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is GSZNDTFUTUMJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-24-17-9-15(19)4-5-16(17)14-8-13(10-20-12-14)11-21-18(23)22-6-2-3-7-22/h4-5,8-10,12H,2-3,6-7,11H2,1H3,(H,21,23).
What are the key properties of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide?
N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 54583835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).