N-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide

C17H17BrN4O3 — CID 55977281

IUPACN-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C17H17BrN4O3/c18-12-5-6-15-21-13(11-22(15)10-12)9-20-16(23)4-1-7-19-17(24)14-3-2-8-25-14/h2-3,5-6,8,10-11H,1,4,7,9H2,(H,19,24)(H,20,23)
InChIKeyIZRDZGODFJCSIU-UHFFFAOYSA-N
MW405.25 g/mol
LogP2.52
Rot. Bonds7

About N-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide

N-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 55977281) has the molecular formula C17H17BrN4O3 and a molecular weight of 405.25 g/mol. Its IUPAC name is N-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide
PubChem CID55977281
Molecular FormulaC17H17BrN4O3
Molecular Weight405.25 g/mol
Exact Mass404.05
IUPAC NameN-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C17H17BrN4O3/c18-12-5-6-15-21-13(11-22(15)10-12)9-20-16(23)4-1-7-19-17(24)14-3-2-8-25-14/h2-3,5-6,8,10-11H,1,4,7,9H2,(H,19,24)(H,20,23)
InChIKeyIZRDZGODFJCSIU-UHFFFAOYSA-N
XLogP2.52
TPSA88.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168072
N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide
CID 35511874
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47067642
N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]furan-2-carboxamide
CID 22517208
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-indol-1-ylpropanamide
CID 55976258
3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
CID 55976385
N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide
CID 43022777
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-(5-bromopentyl)furan-2-carboxamide
CID 107322078
N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide
CID 32603356
2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 55975996

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide (CID 55977281) is N-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide is O=C(CCCNC(=O)c1ccco1)NCc1cn2cc(Br)ccc2n1.
What is the InChIKey of N-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is IZRDZGODFJCSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O3/c18-12-5-6-15-21-13(11-22(15)10-12)9-20-16(23)4-1-7-19-17(24)14-3-2-8-25-14/h2-3,5-6,8,10-11H,1,4,7,9H2,(H,19,24)(H,20,23).
What are the key properties of N-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 405.25 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 55977281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).