2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide

C25H24N4O2 — CID 142459198

IUPAC2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1-c1ccccc1-c1cc2ccc(CN3CCNCC3)cc2o1
InChIInChI=1S/C25H24N4O2/c26-25(30)21-6-3-9-28-24(21)20-5-2-1-4-19(20)23-15-18-8-7-17(14-22(18)31-23)16-29-12-10-27-11-13-29/h1-9,14-15,27H,10-13,16H2,(H2,26,30)
InChIKeyMYBBHPXLKLISHH-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.67
Rot. Bonds5

About 2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide

2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 142459198) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID142459198
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1-c1ccccc1-c1cc2ccc(CN3CCNCC3)cc2o1
InChIInChI=1S/C25H24N4O2/c26-25(30)21-6-3-9-28-24(21)20-5-2-1-4-19(20)23-15-18-8-7-17(14-22(18)31-23)16-29-12-10-27-11-13-29/h1-9,14-15,27H,10-13,16H2,(H2,26,30)
InChIKeyMYBBHPXLKLISHH-UHFFFAOYSA-N
XLogP3.67
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide (CID 142459198) is 2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide is NC(=O)c1cccnc1-c1ccccc1-c1cc2ccc(CN3CCNCC3)cc2o1.
What is the InChIKey of 2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is MYBBHPXLKLISHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c26-25(30)21-6-3-9-28-24(21)20-5-2-1-4-19(20)23-15-18-8-7-17(14-22(18)31-23)16-29-12-10-27-11-13-29/h1-9,14-15,27H,10-13,16H2,(H2,26,30).
What are the key properties of 2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide?
2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 142459198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).