1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C14H17BrN2O4 — CID 120544269

IUPAC1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCC1)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C14H17BrN2O4/c15-10-6-9(7-16-12(10)19)11(18)17-8-14(13(20)21)4-2-1-3-5-14/h6-7H,1-5,8H2,(H,16,19)(H,17,18)(H,20,21)
InChIKeyODIQYRIFNFUNRF-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.90
Rot. Bonds4

About 1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120544269) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120544269
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCC1)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C14H17BrN2O4/c15-10-6-9(7-16-12(10)19)11(18)17-8-14(13(20)21)4-2-1-3-5-14/h6-7H,1-5,8H2,(H,16,19)(H,17,18)(H,20,21)
InChIKeyODIQYRIFNFUNRF-UHFFFAOYSA-N
XLogP1.90
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538832
1-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176410
1-[[(3-bromo-4-fluorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103791307
1-[[(3,5-dibromobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 107971653
1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid
CID 113310740
1-[[(3,5-difluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435644
1-[[(4,5-dibromothiophene-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309059
1-[[(3,4-dihydroxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107728192
1-[[(3-bromo-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312051
1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443395
1-[[(2-bromo-5-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435855
1-[[[4-(hydroxymethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435645

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 120544269) is 1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCCC1)c1c[nH]c(=O)c(Br)c1.
What is the InChIKey of 1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is ODIQYRIFNFUNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c15-10-6-9(7-16-12(10)19)11(18)17-8-14(13(20)21)4-2-1-3-5-14/h6-7H,1-5,8H2,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 357.20 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120544269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).