5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide

C12H12BrN3O2 — CID 81316878

IUPAC5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccc(Br)o1)C(=O)c1ccc(N)cn1
InChIInChI=1S/C12H12BrN3O2/c1-16(7-9-3-5-11(13)18-9)12(17)10-4-2-8(14)6-15-10/h2-6H,7,14H2,1H3
InChIKeyIKXYTZHRWJDLLQ-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.29
Rot. Bonds3

About 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide

5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 81316878) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID81316878
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccc(Br)o1)C(=O)c1ccc(N)cn1
InChIInChI=1S/C12H12BrN3O2/c1-16(7-9-3-5-11(13)18-9)12(17)10-4-2-8(14)6-15-10/h2-6H,7,14H2,1H3
InChIKeyIKXYTZHRWJDLLQ-UHFFFAOYSA-N
XLogP2.29
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55152124
4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109003
5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81317186
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316642
2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide
CID 61108813
5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 61107883
5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81310441
5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 63723030
N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 91938717
4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide
CID 82794027
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide
CID 61108067

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide (CID 81316878) is 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide is CN(Cc1ccc(Br)o1)C(=O)c1ccc(N)cn1.
What is the InChIKey of 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is IKXYTZHRWJDLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-16(7-9-3-5-11(13)18-9)12(17)10-4-2-8(14)6-15-10/h2-6H,7,14H2,1H3.
What are the key properties of 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide?
5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 81316878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).