N-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide

C23H26N4O2 — CID 59636777

IUPACN-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
InChIInChI=1S/C23H26N4O2/c28-23(25-19-7-8-19)21-16-17-4-3-6-20(22(17)29-21)27-14-12-26(13-15-27)11-9-18-5-1-2-10-24-18/h1-6,10,16,19H,7-9,11-15H2,(H,25,28)
InChIKeyUIKPTRHFTPOLFD-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.08
Rot. Bonds6

About N-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide

N-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 59636777) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
PubChem CID59636777
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
InChIInChI=1S/C23H26N4O2/c28-23(25-19-7-8-19)21-16-17-4-3-6-20(22(17)29-21)27-14-12-26(13-15-27)11-9-18-5-1-2-10-24-18/h1-6,10,16,19H,7-9,11-15H2,(H,25,28)
InChIKeyUIKPTRHFTPOLFD-UHFFFAOYSA-N
XLogP3.08
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide (CID 59636777) is N-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide is O=C(NC1CC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1.
What is the InChIKey of N-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is UIKPTRHFTPOLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-23(25-19-7-8-19)21-16-17-4-3-6-20(22(17)29-21)27-14-12-26(13-15-27)11-9-18-5-1-2-10-24-18/h1-6,10,16,19H,7-9,11-15H2,(H,25,28).
What are the key properties of N-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
N-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59636777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).