N-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide

C14H18BrN3O — CID 115274987

IUPACN-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide
SMILESCCCCCCC(=O)Nc1ccc2ncc(Br)n2c1
InChIInChI=1S/C14H18BrN3O/c1-2-3-4-5-6-14(19)17-11-7-8-13-16-9-12(15)18(13)10-11/h7-10H,2-6H2,1H3,(H,17,19)
InChIKeyPFEUAUBAVPSELF-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.01
Rot. Bonds6

About N-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide

N-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide (PubChem CID 115274987) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is N-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide.

Molecular Properties

Compound NameN-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide
PubChem CID115274987
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC NameN-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide
SMILESCCCCCCC(=O)Nc1ccc2ncc(Br)n2c1
InChIInChI=1S/C14H18BrN3O/c1-2-3-4-5-6-14(19)17-11-7-8-13-16-9-12(15)18(13)10-11/h7-10H,2-6H2,1H3,(H,17,19)
InChIKeyPFEUAUBAVPSELF-UHFFFAOYSA-N
XLogP4.01
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide
CID 166210933
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide
CID 115268819
N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-methylfuran-2-carboxamide
CID 115274961
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-(4-bromo-3-chlorophenyl)decanamide
CID 107620607
N-(4-bromo-3-fluorophenyl)octanamide
CID 65429012
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N-[4-[2-[4-(dodecanoylamino)phenyl]ethynyl]phenyl]dodecanamide
CID 102416980

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide?
The IUPAC name of N-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide (CID 115274987) is N-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide.
What is the SMILES notation for N-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide?
The canonical SMILES for N-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide is CCCCCCC(=O)Nc1ccc2ncc(Br)n2c1.
What is the InChIKey of N-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide?
The InChIKey is PFEUAUBAVPSELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-2-3-4-5-6-14(19)17-11-7-8-13-16-9-12(15)18(13)10-11/h7-10H,2-6H2,1H3,(H,17,19).
What are the key properties of N-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide?
N-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide has a molecular weight of 324.22 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide is sourced from PubChem (CID 115274987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).