N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride

C14H14BrClN2O — CID 110787166

IUPACN-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
SMILESCc1ccc(Br)cc1CNC(=O)c1ccncc1.Cl
InChIInChI=1S/C14H13BrN2O.ClH/c1-10-2-3-13(15)8-12(10)9-17-14(18)11-4-6-16-7-5-11;/h2-8H,9H2,1H3,(H,17,18);1H
InChIKeyRILNUEMJFPTTOZ-UHFFFAOYSA-N
MW341.64 g/mol
LogP3.50
Rot. Bonds3

About N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride

N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 110787166) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
PubChem CID110787166
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC NameN-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
SMILESCc1ccc(Br)cc1CNC(=O)c1ccncc1.Cl
InChIInChI=1S/C14H13BrN2O.ClH/c1-10-2-3-13(15)8-12(10)9-17-14(18)11-4-6-16-7-5-11;/h2-8H,9H2,1H3,(H,17,18);1H
InChIKeyRILNUEMJFPTTOZ-UHFFFAOYSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787157
N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162022
2-bromo-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114037435
N-[(5-bromo-2-methylphenyl)methyl]-3-oxobutanamide
CID 115176428
N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787308
2-(aminomethyl)-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115187003
N-[(5-bromo-2-methylphenyl)methyl]-4-cyanopyridine-2-carboxamide
CID 115116857
2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104956264
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide
CID 95971045
4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
CID 114957277
N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide
CID 110471313

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride (CID 110787166) is N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride is Cc1ccc(Br)cc1CNC(=O)c1ccncc1.Cl.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is RILNUEMJFPTTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O.ClH/c1-10-2-3-13(15)8-12(10)9-17-14(18)11-4-6-16-7-5-11;/h2-8H,9H2,1H3,(H,17,18);1H.
What are the key properties of N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride?
N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 341.64 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110787166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).