3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H19N5O2 — CID 109070723

IUPAC3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2nc(C(=O)NCc3ccncc3)c3ccccn23)cc1
InChIInChI=1S/C22H19N5O2/c1-15-5-7-17(8-6-15)25-22(29)20-26-19(18-4-2-3-13-27(18)20)21(28)24-14-16-9-11-23-12-10-16/h2-13H,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyKKHYQKAUBAUVMS-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.22
Rot. Bonds5

About 3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070723) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070723
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2nc(C(=O)NCc3ccncc3)c3ccccn23)cc1
InChIInChI=1S/C22H19N5O2/c1-15-5-7-17(8-6-15)25-22(29)20-26-19(18-4-2-3-13-27(18)20)21(28)24-14-16-9-11-23-12-10-16/h2-13H,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyKKHYQKAUBAUVMS-UHFFFAOYSA-N
XLogP3.22
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[(4-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070389
3-N-benzyl-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070283
1-N-benzyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070239
3-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070321
3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070735
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
3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066823
3-N-[(4-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065877
1-N-(4-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067033
1-N-(3-methylphenyl)-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070366
ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 165367492

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070723) is 3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1ccc(NC(=O)c2nc(C(=O)NCc3ccncc3)c3ccccn23)cc1.
What is the InChIKey of 3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is KKHYQKAUBAUVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-15-5-7-17(8-6-15)25-22(29)20-26-19(18-4-2-3-13-27(18)20)21(28)24-14-16-9-11-23-12-10-16/h2-13H,14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).