N-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide

C18H11BrClN3O2 — CID 130288152

IUPACN-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide
SMILESN#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccc(Br)cn2)o1
InChIInChI=1S/C18H11BrClN3O2/c19-12-3-7-15(22-10-12)17(11-1-4-13(20)5-2-11)23-18(24)16-8-6-14(9-21)25-16/h1-8,10,17H,(H,23,24)/t17-/m0/s1
InChIKeyVIOZBQLSORCHQH-KRWDZBQOSA-N
MW416.66 g/mol
LogP4.48
Rot. Bonds4

About N-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide

N-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide (PubChem CID 130288152) has the molecular formula C18H11BrClN3O2 and a molecular weight of 416.66 g/mol. Its IUPAC name is N-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide
PubChem CID130288152
Molecular FormulaC18H11BrClN3O2
Molecular Weight416.66 g/mol
Exact Mass414.97
IUPAC NameN-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide
SMILESN#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccc(Br)cn2)o1
InChIInChI=1S/C18H11BrClN3O2/c19-12-3-7-15(22-10-12)17(11-1-4-13(20)5-2-11)23-18(24)16-8-6-14(9-21)25-16/h1-8,10,17H,(H,23,24)/t17-/m0/s1
InChIKeyVIOZBQLSORCHQH-KRWDZBQOSA-N
XLogP4.48
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.66
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide?
The IUPAC name of N-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide (CID 130288152) is N-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide.
What is the SMILES notation for N-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide?
The canonical SMILES for N-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide is N#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccc(Br)cn2)o1.
What is the InChIKey of N-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide?
The InChIKey is VIOZBQLSORCHQH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H11BrClN3O2/c19-12-3-7-15(22-10-12)17(11-1-4-13(20)5-2-11)23-18(24)16-8-6-14(9-21)25-16/h1-8,10,17H,(H,23,24)/t17-/m0/s1.
What are the key properties of N-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide?
N-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide has a molecular weight of 416.66 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide is sourced from PubChem (CID 130288152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).