1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C23H21N5O2 — CID 109070302

IUPAC1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1nc(C(=O)NCc2ccccn2)n2ccccc12
InChIInChI=1S/C23H21N5O2/c1-16-8-2-3-9-17(16)14-25-22(29)20-19-11-5-7-13-28(19)21(27-20)23(30)26-15-18-10-4-6-12-24-18/h2-13H,14-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyHXEINUPHDKCVQW-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.90
Rot. Bonds6

About 1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070302) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070302
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1nc(C(=O)NCc2ccccn2)n2ccccc12
InChIInChI=1S/C23H21N5O2/c1-16-8-2-3-9-17(16)14-25-22(29)20-19-11-5-7-13-28(19)21(27-20)23(30)26-15-18-10-4-6-12-24-18/h2-13H,14-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyHXEINUPHDKCVQW-UHFFFAOYSA-N
XLogP2.90
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070321
3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067399
1-N-(3,4-dimethylphenyl)-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070625
3-N-(2-methylphenyl)-1-N-[(2-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070314
3-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066674
3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070305
3-N-(2-fluorophenyl)-1-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070597
3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[(2-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070318
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
3-N-[(4-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070389
3-N-[(2-fluorophenyl)methyl]-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070485
1-N-[(2-chlorophenyl)methyl]-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068997

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070302) is 1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1ccccc1CNC(=O)c1nc(C(=O)NCc2ccccn2)n2ccccc12.
What is the InChIKey of 1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is HXEINUPHDKCVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-16-8-2-3-9-17(16)14-25-22(29)20-19-11-5-7-13-28(19)21(27-20)23(30)26-15-18-10-4-6-12-24-18/h2-13H,14-15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 399.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).