N-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride

C12H17BrClN3O2 — CID 119478508

IUPACN-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2c[nH]c(=O)c(Br)c2)CC1
InChIInChI=1S/C12H16BrN3O2.ClH/c13-10-5-7(6-15-12(10)18)11(17)16-9-3-1-8(14)2-4-9;/h5-6,8-9H,1-4,14H2,(H,15,18)(H,16,17);1H
InChIKeyFDZWVKAOSMFUSD-UHFFFAOYSA-N
MW350.64 g/mol
LogP1.56
Rot. Bonds2

About N-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 119478508) has the molecular formula C12H17BrClN3O2 and a molecular weight of 350.64 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID119478508
Molecular FormulaC12H17BrClN3O2
Molecular Weight350.64 g/mol
Exact Mass349.02
IUPAC NameN-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2c[nH]c(=O)c(Br)c2)CC1
InChIInChI=1S/C12H16BrN3O2.ClH/c13-10-5-7(6-15-12(10)18)11(17)16-9-3-1-8(14)2-4-9;/h5-6,8-9H,1-4,14H2,(H,15,18)(H,16,17);1H
InChIKeyFDZWVKAOSMFUSD-UHFFFAOYSA-N
XLogP1.56
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119604671
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119537569
N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119474386
N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide
CID 104850911
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
N-(4-aminocyclohexyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119478924
5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119508914
N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
CID 119474943
N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide
CID 102851590
1-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176410

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride (CID 119478508) is N-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)c2c[nH]c(=O)c(Br)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is FDZWVKAOSMFUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2.ClH/c13-10-5-7(6-15-12(10)18)11(17)16-9-3-1-8(14)2-4-9;/h5-6,8-9H,1-4,14H2,(H,15,18)(H,16,17);1H.
What are the key properties of N-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 350.64 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119478508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).