N-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide

C23H24N4O3 — CID 2955880

IUPACN-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1)c1ccco1
InChIInChI=1S/C23H24N4O3/c28-22(20-9-6-16-30-20)25-19(17-18-7-2-1-3-8-18)23(29)27-14-12-26(13-15-27)21-10-4-5-11-24-21/h1-11,16,19H,12-15,17H2,(H,25,28)
InChIKeyRCWFDWLKEBESJP-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.36
Rot. Bonds6

About N-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide

N-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide (PubChem CID 2955880) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide
PubChem CID2955880
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1)c1ccco1
InChIInChI=1S/C23H24N4O3/c28-22(20-9-6-16-30-20)25-19(17-18-7-2-1-3-8-18)23(29)27-14-12-26(13-15-27)21-10-4-5-11-24-21/h1-11,16,19H,12-15,17H2,(H,25,28)
InChIKeyRCWFDWLKEBESJP-UHFFFAOYSA-N
XLogP2.36
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide (CID 2955880) is N-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1)c1ccco1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide?
The InChIKey is RCWFDWLKEBESJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-22(20-9-6-16-30-20)25-19(17-18-7-2-1-3-8-18)23(29)27-14-12-26(13-15-27)21-10-4-5-11-24-21/h1-11,16,19H,12-15,17H2,(H,25,28).
What are the key properties of N-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide?
N-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2955880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).