N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C19H22FN5O2 — CID 122322231

IUPACN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N(C)C)nc(CNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H22FN5O2/c1-12-8-17(24(2)3)23-16(22-12)10-21-19(27)13-9-18(26)25(11-13)15-6-4-14(20)5-7-15/h4-8,13H,9-11H2,1-3H3,(H,21,27)
InChIKeyVJXBQACKOZLCIS-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.66
Rot. Bonds5

About N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 122322231) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID122322231
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N(C)C)nc(CNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H22FN5O2/c1-12-8-17(24(2)3)23-16(22-12)10-21-19(27)13-9-18(26)25(11-13)15-6-4-14(20)5-7-15/h4-8,13H,9-11H2,1-3H3,(H,21,27)
InChIKeyVJXBQACKOZLCIS-UHFFFAOYSA-N
XLogP1.66
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 122322511
(3S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 122287289
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122322510
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 122325404
1-(4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 6458569
(3S)-1-(4-fluorophenyl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 25409846
1-(3-fluoro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 18157395
(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 702195
1-(4-methoxyphenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 122319052
1-(3-bromophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 122322579
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
N-[(4-fluorophenyl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42881995

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 122322231) is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(N(C)C)nc(CNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VJXBQACKOZLCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-12-8-17(24(2)3)23-16(22-12)10-21-19(27)13-9-18(26)25(11-13)15-6-4-14(20)5-7-15/h4-8,13H,9-11H2,1-3H3,(H,21,27).
What are the key properties of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122322231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).