4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H15BrN2O3 — CID 62958596

IUPAC4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccc(Br)cn1
InChIInChI=1S/C13H15BrN2O3/c14-9-3-6-11(15-7-9)12(17)16-10-4-1-8(2-5-10)13(18)19/h3,6-8,10H,1-2,4-5H2,(H,16,17)(H,18,19)
InChIKeySNRJYTYAQWVKET-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.22
Rot. Bonds3

About 4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 62958596) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID62958596
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccc(Br)cn1
InChIInChI=1S/C13H15BrN2O3/c14-9-3-6-11(15-7-9)12(17)16-10-4-1-8(2-5-10)13(18)19/h3,6-8,10H,1-2,4-5H2,(H,16,17)(H,18,19)
InChIKeySNRJYTYAQWVKET-UHFFFAOYSA-N
XLogP2.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 64743706
4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 118092598
cis-(1R,3S)-3-[(5-fluoropyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320712
5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide
CID 62953534
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide
CID 62953418
cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106321029
5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide
CID 55247297
4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 139013608
4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66221629
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 60807914
4-[(5-bromo-2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808546

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 62958596) is 4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1ccc(Br)cn1.
What is the InChIKey of 4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SNRJYTYAQWVKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-9-3-6-11(15-7-9)12(17)16-10-4-1-8(2-5-10)13(18)19/h3,6-8,10H,1-2,4-5H2,(H,16,17)(H,18,19).
What are the key properties of 4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 327.18 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62958596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).