N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide

C13H12BrN3O — CID 107516900

IUPACN-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide
SMILESNc1cccc(CNC(=O)c2ncccc2Br)c1
InChIInChI=1S/C13H12BrN3O/c14-11-5-2-6-16-12(11)13(18)17-8-9-3-1-4-10(15)7-9/h1-7H,8,15H2,(H,17,18)
InChIKeyOZSZQMGWZSFKMH-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.36
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide

N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide (PubChem CID 107516900) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide
PubChem CID107516900
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide
SMILESNc1cccc(CNC(=O)c2ncccc2Br)c1
InChIInChI=1S/C13H12BrN3O/c14-11-5-2-6-16-12(11)13(18)17-8-9-3-1-4-10(15)7-9/h1-7H,8,15H2,(H,17,18)
InChIKeyOZSZQMGWZSFKMH-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
CID 107519523
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide
CID 107518056
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518917
N-[(3-aminophenyl)methyl]-3-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 107516858
methyl 4-[[(3-bromopyridine-2-carbonyl)amino]methyl]benzoate
CID 107518096
N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
CID 107516836
3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 107518753
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
N-[(3-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435776
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
N-[(3-aminophenyl)methyl]-3,5-dichlorobenzamide
CID 62499613

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide (CID 107516900) is N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide is Nc1cccc(CNC(=O)c2ncccc2Br)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide?
The InChIKey is OZSZQMGWZSFKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-11-5-2-6-16-12(11)13(18)17-8-9-3-1-4-10(15)7-9/h1-7H,8,15H2,(H,17,18).
What are the key properties of N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide?
N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide is sourced from PubChem (CID 107516900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).