N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide

C16H17BrN4O3 — CID 55656853

IUPACN-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccc(Br)cn2)CC1)c1ccoc1
InChIInChI=1S/C16H17BrN4O3/c17-13-1-2-14(18-9-13)20-4-6-21(7-5-20)15(22)10-19-16(23)12-3-8-24-11-12/h1-3,8-9,11H,4-7,10H2,(H,19,23)
InChIKeyMIPJMMKWEOFKIG-UHFFFAOYSA-N
MW393.24 g/mol
LogP1.52
Rot. Bonds4

About N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide

N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide (PubChem CID 55656853) has the molecular formula C16H17BrN4O3 and a molecular weight of 393.24 g/mol. Its IUPAC name is N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
PubChem CID55656853
Molecular FormulaC16H17BrN4O3
Molecular Weight393.24 g/mol
Exact Mass392.05
IUPAC NameN-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccc(Br)cn2)CC1)c1ccoc1
InChIInChI=1S/C16H17BrN4O3/c17-13-1-2-14(18-9-13)20-4-6-21(7-5-20)15(22)10-19-16(23)12-3-8-24-11-12/h1-3,8-9,11H,4-7,10H2,(H,19,23)
InChIKeyMIPJMMKWEOFKIG-UHFFFAOYSA-N
XLogP1.52
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 54871341
N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide
CID 55816213
N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 55949190
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 46429322
3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 26661615
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 43462002
2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 60945383
3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
CID 62668903
5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 56552908
N-[2-oxo-2-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 90491551
N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 55650509
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 35376587

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide (CID 55656853) is N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide is O=C(NCC(=O)N1CCN(c2ccc(Br)cn2)CC1)c1ccoc1.
What is the InChIKey of N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is MIPJMMKWEOFKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O3/c17-13-1-2-14(18-9-13)20-4-6-21(7-5-20)15(22)10-19-16(23)12-3-8-24-11-12/h1-3,8-9,11H,4-7,10H2,(H,19,23).
What are the key properties of N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide?
N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 393.24 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 55656853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).