3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C23H21N5O2 — CID 109070858

IUPAC3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1nc(C(=O)Nc2ccccc2)c2ccccn12
InChIInChI=1S/C23H21N5O2/c1-27(16-12-17-10-13-24-14-11-17)23(30)21-26-20(19-9-5-6-15-28(19)21)22(29)25-18-7-3-2-4-8-18/h2-11,13-15H,12,16H2,1H3,(H,25,29)
InChIKeyINFVHNNHKYNINI-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.30
Rot. Bonds6

About 3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070858) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070858
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1nc(C(=O)Nc2ccccc2)c2ccccn12
InChIInChI=1S/C23H21N5O2/c1-27(16-12-17-10-13-24-14-11-17)23(30)21-26-20(19-9-5-6-15-28(19)21)22(29)25-18-7-3-2-4-8-18/h2-11,13-15H,12,16H2,1H3,(H,25,29)
InChIKeyINFVHNNHKYNINI-UHFFFAOYSA-N
XLogP3.30
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-butyl-1-N-(4-ethylphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071536
3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071524
3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071555
3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070723
1-N-(4-ethylphenyl)-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072008
3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071048
1-N-benzyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070239
1-N-benzyl-1-N-methyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070440
1-N-(3-fluorophenyl)-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072012
3-N-butyl-3-N-methyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070647
3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071542
1-N-prop-2-enyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066836

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070858) is 3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CN(CCc1ccncc1)C(=O)c1nc(C(=O)Nc2ccccc2)c2ccccn12.
What is the InChIKey of 3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is INFVHNNHKYNINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-27(16-12-17-10-13-24-14-11-17)23(30)21-26-20(19-9-5-6-15-28(19)21)22(29)25-18-7-3-2-4-8-18/h2-11,13-15H,12,16H2,1H3,(H,25,29).
What are the key properties of 3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).