N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C18H20FN5O2 — CID 122322511

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C18H20FN5O2/c1-23(2)16-7-8-20-15(22-16)10-21-18(26)12-9-17(25)24(11-12)14-5-3-13(19)4-6-14/h3-8,12H,9-11H2,1-2H3,(H,21,26)
InChIKeyDUSGZWVTEPVSTG-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.35
Rot. Bonds5

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 122322511) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID122322511
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C18H20FN5O2/c1-23(2)16-7-8-20-15(22-16)10-21-18(26)12-9-17(25)24(11-12)14-5-3-13(19)4-6-14/h3-8,12H,9-11H2,1-2H3,(H,21,26)
InChIKeyDUSGZWVTEPVSTG-UHFFFAOYSA-N
XLogP1.35
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122322510
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 122322231
1-(3-bromophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 122322579
1-(4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 6458569
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide
CID 122322584
N-[(4-fluorophenyl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42881995
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122354288
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 121137212
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2955372
(3S)-1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976973

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 122322511) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is CN(C)c1ccnc(CNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DUSGZWVTEPVSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-23(2)16-7-8-20-15(22-16)10-21-18(26)12-9-17(25)24(11-12)14-5-3-13(19)4-6-14/h3-8,12H,9-11H2,1-2H3,(H,21,26).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122322511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).