5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide

C18H18BrN3O2 — CID 39229520

IUPAC5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1cncc(Br)c1
InChIInChI=1S/C18H18BrN3O2/c19-15-10-14(11-20-12-15)18(24)21-16-5-3-13(4-6-16)9-17(23)22-7-1-2-8-22/h3-6,10-12H,1-2,7-9H2,(H,21,24)
InChIKeyQMYMPKXEPZKDTD-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.26
Rot. Bonds4

About 5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide

5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide (PubChem CID 39229520) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide
PubChem CID39229520
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1cncc(Br)c1
InChIInChI=1S/C18H18BrN3O2/c19-15-10-14(11-20-12-15)18(24)21-16-5-3-13(4-6-16)9-17(23)22-7-1-2-8-22/h3-6,10-12H,1-2,7-9H2,(H,21,24)
InChIKeyQMYMPKXEPZKDTD-UHFFFAOYSA-N
XLogP3.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone
CID 18985988
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
N-(4-acetamidophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102613
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 993374
N-[4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylcarbamoyl]phenyl]-5-bromopyridine-3-carboxamide
CID 71755148
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517
N-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102585
5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109107727
3-bromo-N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]benzamide
CID 42663751
N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide
CID 55168003

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide (CID 39229520) is 5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is QMYMPKXEPZKDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c19-15-10-14(11-20-12-15)18(24)21-16-5-3-13(4-6-16)9-17(23)22-7-1-2-8-22/h3-6,10-12H,1-2,7-9H2,(H,21,24).
What are the key properties of 5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide?
5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 388.27 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 39229520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).