3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H20N4O2 — CID 109066823

IUPAC3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)NCc2ccc(C)cc2)n2ccccc12
InChIInChI=1S/C20H20N4O2/c1-3-11-21-19(25)17-16-6-4-5-12-24(16)18(23-17)20(26)22-13-15-9-7-14(2)8-10-15/h3-10,12H,1,11,13H2,2H3,(H,21,25)(H,22,26)
InChIKeyBAOODKATBIXAAB-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.49
Rot. Bonds6

About 3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109066823) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109066823
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)NCc2ccc(C)cc2)n2ccccc12
InChIInChI=1S/C20H20N4O2/c1-3-11-21-19(25)17-16-6-4-5-12-24(16)18(23-17)20(26)22-13-15-9-7-14(2)8-10-15/h3-10,12H,1,11,13H2,2H3,(H,21,25)(H,22,26)
InChIKeyBAOODKATBIXAAB-UHFFFAOYSA-N
XLogP2.49
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.49
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-(4-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067033
1-N-prop-2-enyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066836
3-N-[(4-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070389
3-N-[(4-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065877
3-N-benzyl-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070283
3-N-[(4-methylphenyl)methyl]-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070393
1-N-(2-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067031
3-N,3-N-diethyl-1-N-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070373
3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070723
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066843
1-N-(3-methoxypropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066968
1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067017

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109066823) is 3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide is C=CCNC(=O)c1nc(C(=O)NCc2ccc(C)cc2)n2ccccc12.
What is the InChIKey of 3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is BAOODKATBIXAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-11-21-19(25)17-16-6-4-5-12-24(16)18(23-17)20(26)22-13-15-9-7-14(2)8-10-15/h3-10,12H,1,11,13H2,2H3,(H,21,25)(H,22,26).
What are the key properties of 3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109066823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).