3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C18H15BrN4O2 — CID 109066935

IUPAC3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)Nc2cccc(Br)c2)n2ccccc12
InChIInChI=1S/C18H15BrN4O2/c1-2-9-20-17(24)15-14-8-3-4-10-23(14)16(22-15)18(25)21-13-7-5-6-12(19)11-13/h2-8,10-11H,1,9H2,(H,20,24)(H,21,25)
InChIKeyARRUIDXKMLCJHH-UHFFFAOYSA-N
MW399.25 g/mol
LogP3.26
Rot. Bonds5

About 3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109066935) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is 3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109066935
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)Nc2cccc(Br)c2)n2ccccc12
InChIInChI=1S/C18H15BrN4O2/c1-2-9-20-17(24)15-14-8-3-4-10-23(14)16(22-15)18(25)21-13-7-5-6-12(19)11-13/h2-8,10-11H,1,9H2,(H,20,24)(H,21,25)
InChIKeyARRUIDXKMLCJHH-UHFFFAOYSA-N
XLogP3.26
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3,4-difluorophenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067115
1-N-(4-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067033
3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066906
3-N-(2-chlorophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066897
1-N-prop-2-enyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066836
3-N-(3-methylphenyl)-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071926
1-N-(2-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067031
1-N-(3-fluorophenyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071855
1-N-benzyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070239
3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067486
1-N-(3-methoxypropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066968
3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067079

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109066935) is 3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide is C=CCNC(=O)c1nc(C(=O)Nc2cccc(Br)c2)n2ccccc12.
What is the InChIKey of 3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is ARRUIDXKMLCJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c1-2-9-20-17(24)15-14-8-3-4-10-23(14)16(22-15)18(25)21-13-7-5-6-12(19)11-13/h2-8,10-11H,1,9H2,(H,20,24)(H,21,25).
What are the key properties of 3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 399.25 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109066935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).