N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride

C12H17BrClN3O2 — CID 119604671

IUPACN-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C12H16BrN3O2.ClH/c13-9-4-8(6-15-12(9)18)11(17)16-10-3-1-2-7(10)5-14;/h4,6-7,10H,1-3,5,14H2,(H,15,18)(H,16,17);1H
InChIKeyPDYZEPIWITZAMM-UHFFFAOYSA-N
MW350.64 g/mol
LogP1.42
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 119604671) has the molecular formula C12H17BrClN3O2 and a molecular weight of 350.64 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID119604671
Molecular FormulaC12H17BrClN3O2
Molecular Weight350.64 g/mol
Exact Mass349.02
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C12H16BrN3O2.ClH/c13-9-4-8(6-15-12(9)18)11(17)16-10-3-1-2-7(10)5-14;/h4,6-7,10H,1-3,5,14H2,(H,15,18)(H,16,17);1H
InChIKeyPDYZEPIWITZAMM-UHFFFAOYSA-N
XLogP1.42
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119478508
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride
CID 119600817
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119600537
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride
CID 119601552
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
CID 113265788
N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
CID 107940016
N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
CID 119612232
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride (CID 119604671) is N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1c[nH]c(=O)c(Br)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is PDYZEPIWITZAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2.ClH/c13-9-4-8(6-15-12(9)18)11(17)16-10-3-1-2-7(10)5-14;/h4,6-7,10H,1-3,5,14H2,(H,15,18)(H,16,17);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 350.64 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119604671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).