N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide

C13H12BrN3O — CID 55168003

IUPACN-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide
SMILESNCc1cccc(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C13H12BrN3O/c14-11-5-10(7-16-8-11)13(18)17-12-3-1-2-9(4-12)6-15/h1-5,7-8H,6,15H2,(H,17,18)
InChIKeyZHUWFPQOOXKDIX-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.56
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide

N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide (PubChem CID 55168003) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide
PubChem CID55168003
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide
SMILESNCc1cccc(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C13H12BrN3O/c14-11-5-10(7-16-8-11)13(18)17-12-3-1-2-9(4-12)6-15/h1-5,7-8H,6,15H2,(H,17,18)
InChIKeyZHUWFPQOOXKDIX-UHFFFAOYSA-N
XLogP2.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 61061483
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
N-[3-(aminomethyl)phenyl]-3-bromo-4-fluorobenzamide
CID 103804951
N-[3-(aminomethyl)phenyl]-4-bromo-3-fluorobenzamide
CID 63254166
N-[3-(aminomethyl)phenyl]-3-hydroxybenzamide
CID 16772041
N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
CID 23770287
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
5-bromo-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carboxamide
CID 51949297
N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide
CID 63254340
N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239462

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide (CID 55168003) is N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide is NCc1cccc(NC(=O)c2cncc(Br)c2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide?
The InChIKey is ZHUWFPQOOXKDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-11-5-10(7-16-8-11)13(18)17-12-3-1-2-9(4-12)6-15/h1-5,7-8H,6,15H2,(H,17,18).
What are the key properties of N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide?
N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 55168003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).