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

C15H13BrN4O2 — CID 42890520

IUPAC1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ncccn1)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C15H13BrN4O2/c16-11-3-1-4-12(8-11)20-9-10(7-13(20)21)14(22)19-15-17-5-2-6-18-15/h1-6,8,10H,7,9H2,(H,17,18,19,22)
InChIKeyQKXWLRRDDXQVPE-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.23
Rot. Bonds3

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

1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide (PubChem CID 42890520) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
PubChem CID42890520
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC Name1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ncccn1)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C15H13BrN4O2/c16-11-3-1-4-12(8-11)20-9-10(7-13(20)21)14(22)19-15-17-5-2-6-18-15/h1-6,8,10H,7,9H2,(H,17,18,19,22)
InChIKeyQKXWLRRDDXQVPE-UHFFFAOYSA-N
XLogP2.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054
1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 46581777
(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 52636988
1-(3-bromophenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42952948
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578437
5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110684594
1-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952985
1-(3-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952988
1-(3-bromophenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42952846
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 29367653
1-(3-bromophenyl)-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 42953340
1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90603521

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide (CID 42890520) is 1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide is O=C(Nc1ncccn1)C1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is QKXWLRRDDXQVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2/c16-11-3-1-4-12(8-11)20-9-10(7-13(20)21)14(22)19-15-17-5-2-6-18-15/h1-6,8,10H,7,9H2,(H,17,18,19,22).
What are the key properties of 1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide?
1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 361.20 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42890520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).