1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide

C17H17N5O3 — CID 17120007

IUPAC1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2CC(C(=O)Nc3ncccn3)CC2=O)cc1
InChIInChI=1S/C17H17N5O3/c1-11(23)20-13-3-5-14(6-4-13)22-10-12(9-15(22)24)16(25)21-17-18-7-2-8-19-17/h2-8,12H,9-10H2,1H3,(H,20,23)(H,18,19,21,25)
InChIKeyDGRYHXHTULRMJU-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.43
Rot. Bonds4

About 1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide

1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide (PubChem CID 17120007) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
PubChem CID17120007
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2CC(C(=O)Nc3ncccn3)CC2=O)cc1
InChIInChI=1S/C17H17N5O3/c1-11(23)20-13-3-5-14(6-4-13)22-10-12(9-15(22)24)16(25)21-17-18-7-2-8-19-17/h2-8,12H,9-10H2,1H3,(H,20,23)(H,18,19,21,25)
InChIKeyDGRYHXHTULRMJU-UHFFFAOYSA-N
XLogP1.43
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110684594
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40965785
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220413
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054
1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520
(3R)-1-(4-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965794
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 29367653
1-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17119982
methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 17120097

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide (CID 17120007) is 1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide is CC(=O)Nc1ccc(N2CC(C(=O)Nc3ncccn3)CC2=O)cc1.
What is the InChIKey of 1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is DGRYHXHTULRMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11(23)20-13-3-5-14(6-4-13)22-10-12(9-15(22)24)16(25)21-17-18-7-2-8-19-17/h2-8,12H,9-10H2,1H3,(H,20,23)(H,18,19,21,25).
What are the key properties of 1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide?
1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17120007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).