1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C18H18FN3O3 — CID 10246820

IUPAC1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(c2ccc(OCc3ccc(F)cc3)nc2)C1
InChIInChI=1S/C18H18FN3O3/c1-20-18(24)13-8-17(23)22(10-13)15-6-7-16(21-9-15)25-11-12-2-4-14(19)5-3-12/h2-7,9,13H,8,10-11H2,1H3,(H,20,24)
InChIKeyXBCSUOWYPCXSOZ-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.90
Rot. Bonds5

About 1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 10246820) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID10246820
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(c2ccc(OCc3ccc(F)cc3)nc2)C1
InChIInChI=1S/C18H18FN3O3/c1-20-18(24)13-8-17(23)22(10-13)15-6-7-16(21-9-15)25-11-12-2-4-14(19)5-3-12/h2-7,9,13H,8,10-11H2,1H3,(H,20,24)
InChIKeyXBCSUOWYPCXSOZ-UHFFFAOYSA-N
XLogP1.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 10246820) is 1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CNC(=O)C1CC(=O)N(c2ccc(OCc3ccc(F)cc3)nc2)C1.
What is the InChIKey of 1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XBCSUOWYPCXSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-20-18(24)13-8-17(23)22(10-13)15-6-7-16(21-9-15)25-11-12-2-4-14(19)5-3-12/h2-7,9,13H,8,10-11H2,1H3,(H,20,24).
What are the key properties of 1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 10246820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).