2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid

C15H13BrN2O3 — CID 63615108

IUPAC2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCN(Cc1cccc(Br)c1)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C15H13BrN2O3/c1-18(9-10-4-2-5-11(16)8-10)14(19)13-12(15(20)21)6-3-7-17-13/h2-8H,9H2,1H3,(H,20,21)
InChIKeyNTOHCSZPMZTJNZ-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.81
Rot. Bonds4

About 2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid

2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 63615108) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID63615108
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCN(Cc1cccc(Br)c1)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C15H13BrN2O3/c1-18(9-10-4-2-5-11(16)8-10)14(19)13-12(15(20)21)6-3-7-17-13/h2-8H,9H2,1H3,(H,20,21)
InChIKeyNTOHCSZPMZTJNZ-UHFFFAOYSA-N
XLogP2.81
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615584
2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615237
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378055
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
2-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62660187
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62173439
4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 55104192
N-[(3-bromophenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104626014
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614269
2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
CID 115540438
4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 65353986

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid (CID 63615108) is 2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid is CN(Cc1cccc(Br)c1)C(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is NTOHCSZPMZTJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-18(9-10-4-2-5-11(16)8-10)14(19)13-12(15(20)21)6-3-7-17-13/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid?
2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 349.18 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63615108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).