2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide

C25H22N4O3 — CID 141381759

IUPAC2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
SMILESCc1ccc(C(=O)NC2(c3ncccn3)CC2)cc1-c1ccc2oc(C)c(C(N)=O)c2c1
InChIInChI=1S/C25H22N4O3/c1-14-4-5-17(23(31)29-25(8-9-25)24-27-10-3-11-28-24)13-18(14)16-6-7-20-19(12-16)21(22(26)30)15(2)32-20/h3-7,10-13H,8-9H2,1-2H3,(H2,26,30)(H,29,31)
InChIKeyWFTCKUSZNVMDHV-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.02
Rot. Bonds5

About 2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide

2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide (PubChem CID 141381759) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
PubChem CID141381759
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
SMILESCc1ccc(C(=O)NC2(c3ncccn3)CC2)cc1-c1ccc2oc(C)c(C(N)=O)c2c1
InChIInChI=1S/C25H22N4O3/c1-14-4-5-17(23(31)29-25(8-9-25)24-27-10-3-11-28-24)13-18(14)16-6-7-20-19(12-16)21(22(26)30)15(2)32-20/h3-7,10-13H,8-9H2,1-2H3,(H2,26,30)(H,29,31)
InChIKeyWFTCKUSZNVMDHV-UHFFFAOYSA-N
XLogP4.02
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 87409425
2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 123186297
2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-3-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 91512542
5-[5-[[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopropyl]carbamoyl]-2-methylphenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 90763506
N-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide
CID 59505170
N-(4-fluorophenyl)-2-methyl-5-[2-methyl-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 142787133
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275695
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275443
5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 91258886
5-[2-cyclopropyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 90935583
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 143956964
5-[4-(2-amino-2-oxoethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 91277140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide (CID 141381759) is 2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide is Cc1ccc(C(=O)NC2(c3ncccn3)CC2)cc1-c1ccc2oc(C)c(C(N)=O)c2c1.
What is the InChIKey of 2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is WFTCKUSZNVMDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-14-4-5-17(23(31)29-25(8-9-25)24-27-10-3-11-28-24)13-18(14)16-6-7-20-19(12-16)21(22(26)30)15(2)32-20/h3-7,10-13H,8-9H2,1-2H3,(H2,26,30)(H,29,31).
What are the key properties of 2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 141381759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).