5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid

C14H12BrN3O3 — CID 63157990

IUPAC5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid
SMILESO=C(NCc1ccccc1Br)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H12BrN3O3/c15-12-4-2-1-3-9(12)7-17-14(21)18-11-5-10(13(19)20)6-16-8-11/h1-6,8H,7H2,(H,19,20)(H2,17,18,21)
InChIKeyDYUQVTCKMVRALP-UHFFFAOYSA-N
MW350.17 g/mol
LogP2.86
Rot. Bonds4

About 5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid

5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid (PubChem CID 63157990) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid
PubChem CID63157990
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid
SMILESO=C(NCc1ccccc1Br)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H12BrN3O3/c15-12-4-2-1-3-9(12)7-17-14(21)18-11-5-10(13(19)20)6-16-8-11/h1-6,8H,7H2,(H,19,20)(H2,17,18,21)
InChIKeyDYUQVTCKMVRALP-UHFFFAOYSA-N
XLogP2.86
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158025
5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63158193
5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63824516
N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63852378
5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63157521
methyl 4-[(2-bromophenyl)methylcarbamoylamino]benzoate
CID 108897938
5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 79361812
5-[[2-(2-methoxyphenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 63153455
5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
CID 114618025
3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid
CID 61192540
1-[(2-bromophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 3559637
1-(1,3-benzodioxol-5-yl)-3-[(2-bromophenyl)methyl]urea
CID 1245708

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid (CID 63157990) is 5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid is O=C(NCc1ccccc1Br)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid?
The InChIKey is DYUQVTCKMVRALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c15-12-4-2-1-3-9(12)7-17-14(21)18-11-5-10(13(19)20)6-16-8-11/h1-6,8H,7H2,(H,19,20)(H2,17,18,21).
What are the key properties of 5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid?
5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid has a molecular weight of 350.17 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63157990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).