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

C19H23N5O3 — CID 122322510

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3nccc(N(C)C)n3)CC2=O)cc1
InChIInChI=1S/C19H23N5O3/c1-23(2)17-8-9-20-16(22-17)11-21-19(26)13-10-18(25)24(12-13)14-4-6-15(27-3)7-5-14/h4-9,13H,10-12H2,1-3H3,(H,21,26)
InChIKeyXDGOZXUFVJEILC-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.22
Rot. Bonds6

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

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 122322510) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID122322510
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3nccc(N(C)C)n3)CC2=O)cc1
InChIInChI=1S/C19H23N5O3/c1-23(2)17-8-9-20-16(22-17)11-21-19(26)13-10-18(25)24(12-13)14-4-6-15(27-3)7-5-14/h4-9,13H,10-12H2,1-3H3,(H,21,26)
InChIKeyXDGOZXUFVJEILC-UHFFFAOYSA-N
XLogP1.22
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 122322511
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122354288
1-(3-bromophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 122322579
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 122322231
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 15991912
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46921260
(3S)-1-(4-methoxyphenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 27443732

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 122322510) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCc3nccc(N(C)C)n3)CC2=O)cc1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XDGOZXUFVJEILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-23(2)17-8-9-20-16(22-17)11-21-19(26)13-10-18(25)24(12-13)14-4-6-15(27-3)7-5-14/h4-9,13H,10-12H2,1-3H3,(H,21,26).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122322510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).