1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C19H25FN4O2 — CID 72939406

IUPAC1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)CC1=O
InChIInChI=1S/C19H25FN4O2/c1-22(2)6-7-24-11-14(10-18(24)25)19(26)23(3)12-16-9-13-8-15(20)4-5-17(13)21-16/h4-5,8-9,14,21H,6-7,10-12H2,1-3H3
InChIKeyXZFIRRICNHYCSE-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.68
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 72939406) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID72939406
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)CC1=O
InChIInChI=1S/C19H25FN4O2/c1-22(2)6-7-24-11-14(10-18(24)25)19(26)23(3)12-16-9-13-8-15(20)4-5-17(13)21-16/h4-5,8-9,14,21H,6-7,10-12H2,1-3H3
InChIKeyXZFIRRICNHYCSE-UHFFFAOYSA-N
XLogP1.68
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 72939406) is 1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(C)CCN1CC(C(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)CC1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XZFIRRICNHYCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-22(2)6-7-24-11-14(10-18(24)25)19(26)23(3)12-16-9-13-8-15(20)4-5-17(13)21-16/h4-5,8-9,14,21H,6-7,10-12H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 72939406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).