5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide

C13H11BrN4O2 — CID 33152161

IUPAC5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C13H11BrN4O2/c14-9-5-8(6-16-7-9)12(19)17-10-1-3-11(4-2-10)18-13(15)20/h1-7H,(H,17,19)(H3,15,18,20)
InChIKeyABJYEEZCVLFTBO-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.59
Rot. Bonds3

About 5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide

5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide (PubChem CID 33152161) has the molecular formula C13H11BrN4O2 and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
PubChem CID33152161
Molecular FormulaC13H11BrN4O2
Molecular Weight335.16 g/mol
Exact Mass334.01
IUPAC Name5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C13H11BrN4O2/c14-9-5-8(6-16-7-9)12(19)17-10-1-3-11(4-2-10)18-13(15)20/h1-7H,(H,17,19)(H3,15,18,20)
InChIKeyABJYEEZCVLFTBO-UHFFFAOYSA-N
XLogP2.59
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 993374
5-bromo-N-(3-carbamothioyl-4-fluorophenyl)pyridine-3-carboxamide
CID 62316120
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
5-bromo-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 731484
N-(4-bromophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851687
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 107574886
N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide
CID 55168003
5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26197896
N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
CID 23828305

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide (CID 33152161) is 5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide is NC(=O)Nc1ccc(NC(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is ABJYEEZCVLFTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2/c14-9-5-8(6-16-7-9)12(19)17-10-1-3-11(4-2-10)18-13(15)20/h1-7H,(H,17,19)(H3,15,18,20).
What are the key properties of 5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide?
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 335.16 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 33152161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).