N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide

C21H20N4O — CID 110309684

IUPACN-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide
SMILESO=C(NCCCc1ncc2ccccn12)c1cccc(-n2cccc2)c1
InChIInChI=1S/C21H20N4O/c26-21(17-7-5-9-18(15-17)24-12-3-4-13-24)22-11-6-10-20-23-16-19-8-1-2-14-25(19)20/h1-5,7-9,12-16H,6,10-11H2,(H,22,26)
InChIKeyRGSDHDFCCXSEKM-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.49
Rot. Bonds6

About N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide

N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide (PubChem CID 110309684) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide
PubChem CID110309684
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide
SMILESO=C(NCCCc1ncc2ccccn12)c1cccc(-n2cccc2)c1
InChIInChI=1S/C21H20N4O/c26-21(17-7-5-9-18(15-17)24-12-3-4-13-24)22-11-6-10-20-23-16-19-8-1-2-14-25(19)20/h1-5,7-9,12-16H,6,10-11H2,(H,22,26)
InChIKeyRGSDHDFCCXSEKM-UHFFFAOYSA-N
XLogP3.49
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.49
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

N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 110630969
N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide
CID 110356799
N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide
CID 86972966
3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide
CID 110630921
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-2,2-diphenylacetamide
CID 112500611
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110630950
N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide
CID 110617094
1-benzoyl-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)piperidine-4-carboxamide
CID 110309713
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 110630880
1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea
CID 110630952
4-(dimethylsulfamoyl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide
CID 112500596
3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91822812

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide (CID 110309684) is N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide is O=C(NCCCc1ncc2ccccn12)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide?
The InChIKey is RGSDHDFCCXSEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21(17-7-5-9-18(15-17)24-12-3-4-13-24)22-11-6-10-20-23-16-19-8-1-2-14-25(19)20/h1-5,7-9,12-16H,6,10-11H2,(H,22,26).
What are the key properties of N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide?
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide has a molecular weight of 344.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110309684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).