5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide

C18H16BrN3O3 — CID 49061820

IUPAC5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESN#CC1CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC1
InChIInChI=1S/C18H16BrN3O3/c19-16-5-4-15(25-16)17(23)21-14-3-1-2-13(10-14)18(24)22-8-6-12(11-20)7-9-22/h1-5,10,12H,6-9H2,(H,21,23)
InChIKeyPIANQDOPOXCGJB-UHFFFAOYSA-N
MW402.25 g/mol
LogP3.67
Rot. Bonds3

About 5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide

5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide (PubChem CID 49061820) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide
PubChem CID49061820
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESN#CC1CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC1
InChIInChI=1S/C18H16BrN3O3/c19-16-5-4-15(25-16)17(23)21-14-3-1-2-13(10-14)18(24)22-8-6-12(11-20)7-9-22/h1-5,10,12H,6-9H2,(H,21,23)
InChIKeyPIANQDOPOXCGJB-UHFFFAOYSA-N
XLogP3.67
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55775222
5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 55868816
5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55774560
5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 78888913
N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide
CID 86955154
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
CID 55773981
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 60610299
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
1-(3-chlorobenzoyl)piperidine-4-carbonitrile
CID 39351559
5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
CID 112835756
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 110897057

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide (CID 49061820) is 5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide is N#CC1CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC1.
What is the InChIKey of 5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide?
The InChIKey is PIANQDOPOXCGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c19-16-5-4-15(25-16)17(23)21-14-3-1-2-13(10-14)18(24)22-8-6-12(11-20)7-9-22/h1-5,10,12H,6-9H2,(H,21,23).
What are the key properties of 5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide?
5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide has a molecular weight of 402.25 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 49061820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).