6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide

C15H17BrN4O2 — CID 90094755

IUPAC6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C15H17BrN4O2/c16-11-4-5-13-18-9-12(20(13)10-11)15(22)17-6-2-8-19-7-1-3-14(19)21/h4-5,9-10H,1-3,6-8H2,(H,17,22)
InChIKeyVTOWSKIAVNQWPR-UHFFFAOYSA-N
MW365.23 g/mol
LogP1.84
Rot. Bonds5

About 6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide

6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90094755) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90094755
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C15H17BrN4O2/c16-11-4-5-13-18-9-12(20(13)10-11)15(22)17-6-2-8-19-7-1-3-14(19)21/h4-5,9-10H,1-3,6-8H2,(H,17,22)
InChIKeyVTOWSKIAVNQWPR-UHFFFAOYSA-N
XLogP1.84
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 2532950
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide
CID 71791701
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000
4-bromo-3,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 36839856
5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 60635904
N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271596
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 112763208
1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide
CID 53147827
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90094755) is 6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VTOWSKIAVNQWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c16-11-4-5-13-18-9-12(20(13)10-11)15(22)17-6-2-8-19-7-1-3-14(19)21/h4-5,9-10H,1-3,6-8H2,(H,17,22).
What are the key properties of 6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90094755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).