N-benzyl-2-bromo-N-methylpyridine-3-carboxamide

C14H13BrN2O — CID 103751706

IUPACN-benzyl-2-bromo-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccnc1Br
InChIInChI=1S/C14H13BrN2O/c1-17(10-11-6-3-2-4-7-11)14(18)12-8-5-9-16-13(12)15/h2-9H,10H2,1H3
InChIKeyWKAFCKNTHWSCFG-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.12
Rot. Bonds3

About N-benzyl-2-bromo-N-methylpyridine-3-carboxamide

N-benzyl-2-bromo-N-methylpyridine-3-carboxamide (PubChem CID 103751706) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-methylpyridine-3-carboxamide
PubChem CID103751706
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-benzyl-2-bromo-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccnc1Br
InChIInChI=1S/C14H13BrN2O/c1-17(10-11-6-3-2-4-7-11)14(18)12-8-5-9-16-13(12)15/h2-9H,10H2,1H3
InChIKeyWKAFCKNTHWSCFG-UHFFFAOYSA-N
XLogP3.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(4-cyanophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103754344
2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 103754914
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-3-carboxamide
CID 103752364
N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-N-methylpyridine-3-carboxamide
CID 103752006
N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62176252
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide
CID 103752776
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62243531
N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide
CID 25465829
2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide
CID 103754238
2-bromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 103753987
2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615108

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-methylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-bromo-N-methylpyridine-3-carboxamide (CID 103751706) is N-benzyl-2-bromo-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-bromo-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-bromo-N-methylpyridine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1cccnc1Br.
What is the InChIKey of N-benzyl-2-bromo-N-methylpyridine-3-carboxamide?
The InChIKey is WKAFCKNTHWSCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-17(10-11-6-3-2-4-7-11)14(18)12-8-5-9-16-13(12)15/h2-9H,10H2,1H3.
What are the key properties of N-benzyl-2-bromo-N-methylpyridine-3-carboxamide?
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 103751706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).