2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide

C13H11BrClN3O — CID 55086307

IUPAC2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C13H11BrClN3O/c14-9-5-11(12(16)17-7-9)13(19)18-6-8-2-1-3-10(15)4-8/h1-5,7H,6H2,(H2,16,17)(H,18,19)
InChIKeyFHLPSFGZMRUWJZ-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.01
Rot. Bonds3

About 2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide

2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 55086307) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
PubChem CID55086307
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C13H11BrClN3O/c14-9-5-11(12(16)17-7-9)13(19)18-6-8-2-1-3-10(15)4-8/h1-5,7H,6H2,(H2,16,17)(H,18,19)
InChIKeyFHLPSFGZMRUWJZ-UHFFFAOYSA-N
XLogP3.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
CID 62503690
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CID 61111340
2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
CID 55042012
2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 64694166
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897715
2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide
CID 118110158
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 62000615
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62152678
2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 82743986
5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62241265

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide (CID 55086307) is 2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide is Nc1ncc(Br)cc1C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is FHLPSFGZMRUWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c14-9-5-11(12(16)17-7-9)13(19)18-6-8-2-1-3-10(15)4-8/h1-5,7H,6H2,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide?
2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 340.61 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55086307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).