5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride

C12H17BrClN3O2 — CID 119537569

IUPAC5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C12H16BrN3O2.ClH/c13-10-5-9(7-16-12(10)18)11(17)15-4-2-8-1-3-14-6-8;/h5,7-8,14H,1-4,6H2,(H,15,17)(H,16,18);1H
InChIKeyOASHNKXZEGDOOL-UHFFFAOYSA-N
MW350.64 g/mol
LogP1.29
Rot. Bonds4

About 5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride

5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 119537569) has the molecular formula C12H17BrClN3O2 and a molecular weight of 350.64 g/mol. Its IUPAC name is 5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID119537569
Molecular FormulaC12H17BrClN3O2
Molecular Weight350.64 g/mol
Exact Mass349.02
IUPAC Name5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C12H16BrN3O2.ClH/c13-10-5-9(7-16-12(10)18)11(17)15-4-2-8-1-3-14-6-8;/h5,7-8,14H,1-4,6H2,(H,15,17)(H,16,18);1H
InChIKeyOASHNKXZEGDOOL-UHFFFAOYSA-N
XLogP1.29
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119536966
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
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3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
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2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119537449
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3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride (CID 119537569) is 5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1c[nH]c(=O)c(Br)c1.
What is the InChIKey of 5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is OASHNKXZEGDOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2.ClH/c13-10-5-9(7-16-12(10)18)11(17)15-4-2-8-1-3-14-6-8;/h5,7-8,14H,1-4,6H2,(H,15,17)(H,16,18);1H.
What are the key properties of 5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride?
5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 350.64 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119537569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).