3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide

C18H16BrN3O2 — CID 133319102

IUPAC3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(CNc2cncc(Br)c2)c1
InChIInChI=1S/C18H16BrN3O2/c19-15-8-16(11-20-10-15)21-9-13-3-1-4-14(7-13)18(23)22-12-17-5-2-6-24-17/h1-8,10-11,21H,9,12H2,(H,22,23)
InChIKeyKLYKDLPDNIFJDU-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.98
Rot. Bonds6

About 3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide

3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 133319102) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID133319102
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(CNc2cncc(Br)c2)c1
InChIInChI=1S/C18H16BrN3O2/c19-15-8-16(11-20-10-15)21-9-13-3-1-4-14(7-13)18(23)22-12-17-5-2-6-24-17/h1-8,10-11,21H,9,12H2,(H,22,23)
InChIKeyKLYKDLPDNIFJDU-UHFFFAOYSA-N
XLogP3.98
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 84594611
5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109231475
N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109231335
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55923658
5-(furan-2-ylmethylamino)-N-propylpyridine-3-carboxamide
CID 109222782
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
CID 133319105
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 133319102) is 3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1cccc(CNc2cncc(Br)c2)c1.
What is the InChIKey of 3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is KLYKDLPDNIFJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c19-15-8-16(11-20-10-15)21-9-13-3-1-4-14(7-13)18(23)22-12-17-5-2-6-24-17/h1-8,10-11,21H,9,12H2,(H,22,23).
What are the key properties of 3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide?
3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 386.25 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 133319102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).