1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H26N4O3 — CID 109070541

IUPAC1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)NCc2ccccc2OC)n2ccccc12
InChIInChI=1S/C22H26N4O3/c1-4-5-13-25(2)22(28)19-17-11-8-9-14-26(17)20(24-19)21(27)23-15-16-10-6-7-12-18(16)29-3/h6-12,14H,4-5,13,15H2,1-3H3,(H,23,27)
InChIKeyQYTBROIVLYHQPY-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.14
Rot. Bonds8

About 1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070541) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070541
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)NCc2ccccc2OC)n2ccccc12
InChIInChI=1S/C22H26N4O3/c1-4-5-13-25(2)22(28)19-17-11-8-9-14-26(17)20(24-19)21(27)23-15-16-10-6-7-12-18(16)29-3/h6-12,14H,4-5,13,15H2,1-3H3,(H,23,27)
InChIKeyQYTBROIVLYHQPY-UHFFFAOYSA-N
XLogP3.14
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,3-N-dibutyl-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067304
3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070533
1-N-butyl-3-N-(3,5-dimethylphenyl)-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071479
4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047373
1-N-benzyl-3-N-butyl-1-N,3-N-dimethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070445
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-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066061
3-N-butyl-1-N-(4-ethylphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071536
3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071555
3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071214
N-butyl-N-methyl-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067949

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070541) is 1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCN(C)C(=O)c1nc(C(=O)NCc2ccccc2OC)n2ccccc12.
What is the InChIKey of 1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is QYTBROIVLYHQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-5-13-25(2)22(28)19-17-11-8-9-14-26(17)20(24-19)21(27)23-15-16-10-6-7-12-18(16)29-3/h6-12,14H,4-5,13,15H2,1-3H3,(H,23,27).
What are the key properties of 1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).