5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid

C14H12BrN3O3 — CID 63157521

IUPAC5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NC(=O)Nc2cncc(C(=O)O)c2)ccc1Br
InChIInChI=1S/C14H12BrN3O3/c1-8-4-10(2-3-12(8)15)17-14(21)18-11-5-9(13(19)20)6-16-7-11/h2-7H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyWSYHXROIKUWQAC-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.49
Rot. Bonds3

About 5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid

5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid (PubChem CID 63157521) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
PubChem CID63157521
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NC(=O)Nc2cncc(C(=O)O)c2)ccc1Br
InChIInChI=1S/C14H12BrN3O3/c1-8-4-10(2-3-12(8)15)17-14(21)18-11-5-9(13(19)20)6-16-7-11/h2-7H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyWSYHXROIKUWQAC-UHFFFAOYSA-N
XLogP3.49
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239465
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158221
N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225084
5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 65308224
2-[(4-bromo-3-methylphenyl)carbamoylamino]benzoic acid
CID 63548637
5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158172
5-[(2-fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158030
3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106817
5-[(4-methylphenyl)carbamothioylamino]pyridine-3-carboxylic acid
CID 146674947
5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157990
5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223324

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid (CID 63157521) is 5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid is Cc1cc(NC(=O)Nc2cncc(C(=O)O)c2)ccc1Br.
What is the InChIKey of 5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid?
The InChIKey is WSYHXROIKUWQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c1-8-4-10(2-3-12(8)15)17-14(21)18-11-5-9(13(19)20)6-16-7-11/h2-7H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid?
5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid has a molecular weight of 350.17 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63157521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).