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

C28H30N4O3 — CID 59636767

IUPACN-[(4-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cc1
InChIInChI=1S/C28H30N4O3/c1-34-24-10-8-21(9-11-24)20-30-28(33)26-19-22-5-4-7-25(27(22)35-26)32-17-15-31(16-18-32)14-12-23-6-2-3-13-29-23/h2-11,13,19H,12,14-18,20H2,1H3,(H,30,33)
InChIKeyIFHAHZILAKZVRV-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.13
Rot. Bonds8

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

N-[(4-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 59636767) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
PubChem CID59636767
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-[(4-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cc1
InChIInChI=1S/C28H30N4O3/c1-34-24-10-8-21(9-11-24)20-30-28(33)26-19-22-5-4-7-25(27(22)35-26)32-17-15-31(16-18-32)14-12-23-6-2-3-13-29-23/h2-11,13,19H,12,14-18,20H2,1H3,(H,30,33)
InChIKeyIFHAHZILAKZVRV-UHFFFAOYSA-N
XLogP4.13
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bradanicline
CID 25147644
Sphinx31
CID 91972002
5-(2-Morpholin-4-ylethoxy)benzofuran-2-carboxylic acid ((S)-3-methyl-1-{(S)-3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-ylcarbamoyl}butyl)amide
CID 5287549
N-[(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71463351
Furan-2-carboxamide deriv., 24
CID 44236907
Furan-2-carboxamide deriv., 25
CID 44236908
5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzofuran-2-carboxylic acid amide
CID 11316467
Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 44225415
N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CID 49848635
3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-3-yl-furan-2-carbonyl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11754694
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714
N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 24791600

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide (CID 59636767) is N-[(4-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide is COc1ccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is IFHAHZILAKZVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-34-24-10-8-21(9-11-24)20-30-28(33)26-19-22-5-4-7-25(27(22)35-26)32-17-15-31(16-18-32)14-12-23-6-2-3-13-29-23/h2-11,13,19H,12,14-18,20H2,1H3,(H,30,33).
What are the key properties of N-[(4-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59636767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).