N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide

C24H28N4O2 — CID 2817679

IUPACN-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide
SMILESCC(CN1CCN(Cc2ccccc2)CC1)N(C(=O)c1ccoc1)c1ccccn1
InChIInChI=1S/C24H28N4O2/c1-20(17-26-12-14-27(15-13-26)18-21-7-3-2-4-8-21)28(23-9-5-6-11-25-23)24(29)22-10-16-30-19-22/h2-11,16,19-20H,12-15,17-18H2,1H3
InChIKeyVSMFDKKIQXPUEK-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.53
Rot. Bonds7

About N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide

N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide (PubChem CID 2817679) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide
PubChem CID2817679
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide
SMILESCC(CN1CCN(Cc2ccccc2)CC1)N(C(=O)c1ccoc1)c1ccccn1
InChIInChI=1S/C24H28N4O2/c1-20(17-26-12-14-27(15-13-26)18-21-7-3-2-4-8-21)28(23-9-5-6-11-25-23)24(29)22-10-16-30-19-22/h2-11,16,19-20H,12-15,17-18H2,1H3
InChIKeyVSMFDKKIQXPUEK-UHFFFAOYSA-N
XLogP3.53
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide?
The IUPAC name of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide (CID 2817679) is N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide?
The canonical SMILES for N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide is CC(CN1CCN(Cc2ccccc2)CC1)N(C(=O)c1ccoc1)c1ccccn1.
What is the InChIKey of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide?
The InChIKey is VSMFDKKIQXPUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-20(17-26-12-14-27(15-13-26)18-21-7-3-2-4-8-21)28(23-9-5-6-11-25-23)24(29)22-10-16-30-19-22/h2-11,16,19-20H,12-15,17-18H2,1H3.
What are the key properties of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide?
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylfuran-3-carboxamide is sourced from PubChem (CID 2817679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).