5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide

C17H20BrN3O2 — CID 16895958

IUPAC5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCN(Cc2ccncc2)CC1)c1ccc(Br)o1
InChIInChI=1S/C17H20BrN3O2/c18-16-2-1-15(23-16)17(22)20-11-13-5-9-21(10-6-13)12-14-3-7-19-8-4-14/h1-4,7-8,13H,5-6,9-12H2,(H,20,22)
InChIKeyKDUYRAJSGIQZIG-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.08
Rot. Bonds5

About 5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide

5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide (PubChem CID 16895958) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
PubChem CID16895958
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC Name5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCN(Cc2ccncc2)CC1)c1ccc(Br)o1
InChIInChI=1S/C17H20BrN3O2/c18-16-2-1-15(23-16)17(22)20-11-13-5-9-21(10-6-13)12-14-3-7-19-8-4-14/h1-4,7-8,13H,5-6,9-12H2,(H,20,22)
InChIKeyKDUYRAJSGIQZIG-UHFFFAOYSA-N
XLogP3.08
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-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

5-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895864
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 166243194
2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895942
2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 56704984
N'-[(4-methoxyphenyl)methyl]-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887107
2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide
CID 138036300
4-chloro-3-nitro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895983
4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
CID 56723382

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide (CID 16895958) is 5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide is O=C(NCC1CCN(Cc2ccncc2)CC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide?
The InChIKey is KDUYRAJSGIQZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c18-16-2-1-15(23-16)17(22)20-11-13-5-9-21(10-6-13)12-14-3-7-19-8-4-14/h1-4,7-8,13H,5-6,9-12H2,(H,20,22).
What are the key properties of 5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide?
5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 16895958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).