N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide

C23H20N4O2 — CID 56724534

IUPACN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H20N4O2/c28-22-16-21(18-6-2-1-3-7-18)25-17-27(22)15-12-24-23(29)19-8-10-20(11-9-19)26-13-4-5-14-26/h1-11,13-14,16-17H,12,15H2,(H,24,29)
InChIKeyKLXXDDOJVUNWAI-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide

N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide (PubChem CID 56724534) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide
PubChem CID56724534
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H20N4O2/c28-22-16-21(18-6-2-1-3-7-18)25-17-27(22)15-12-24-23(29)19-8-10-20(11-9-19)26-13-4-5-14-26/h1-11,13-14,16-17H,12,15H2,(H,24,29)
InChIKeyKLXXDDOJVUNWAI-UHFFFAOYSA-N
XLogP3.13
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide (CID 56724534) is N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide is O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is KLXXDDOJVUNWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-22-16-21(18-6-2-1-3-7-18)25-17-27(22)15-12-24-23(29)19-8-10-20(11-9-19)26-13-4-5-14-26/h1-11,13-14,16-17H,12,15H2,(H,24,29).
What are the key properties of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide?
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 384.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 56724534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).