2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide

C28H29N5O2 — CID 46230579

IUPAC2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide
SMILESCC(CN1CCN(c2ncccn2)CC1)NC(=O)c1cc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C28H29N5O2/c1-21(20-32-15-17-33(18-16-32)28-29-13-8-14-30-28)31-27(34)24-19-25(22-9-4-2-5-10-22)35-26(24)23-11-6-3-7-12-23/h2-14,19,21H,15-18,20H2,1H3,(H,31,34)
InChIKeyOHFZZALJMWQCIT-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.34
Rot. Bonds7

About 2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide

2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide (PubChem CID 46230579) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide
PubChem CID46230579
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide
SMILESCC(CN1CCN(c2ncccn2)CC1)NC(=O)c1cc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C28H29N5O2/c1-21(20-32-15-17-33(18-16-32)28-29-13-8-14-30-28)31-27(34)24-19-25(22-9-4-2-5-10-22)35-26(24)23-11-6-3-7-12-23/h2-14,19,21H,15-18,20H2,1H3,(H,31,34)
InChIKeyOHFZZALJMWQCIT-UHFFFAOYSA-N
XLogP4.34
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide?
The IUPAC name of 2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide (CID 46230579) is 2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide?
The canonical SMILES for 2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide is CC(CN1CCN(c2ncccn2)CC1)NC(=O)c1cc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of 2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide?
The InChIKey is OHFZZALJMWQCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-21(20-32-15-17-33(18-16-32)28-29-13-8-14-30-28)31-27(34)24-19-25(22-9-4-2-5-10-22)35-26(24)23-11-6-3-7-12-23/h2-14,19,21H,15-18,20H2,1H3,(H,31,34).
What are the key properties of 2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide?
2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 46230579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).