1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H23ClN4O2 — CID 109070531

IUPAC1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)NCc2ccc(Cl)cc2)n2ccccc12
InChIInChI=1S/C21H23ClN4O2/c1-3-4-12-25(2)21(28)18-17-7-5-6-13-26(17)19(24-18)20(27)23-14-15-8-10-16(22)11-9-15/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,27)
InChIKeyCXSHDLSBJNLYKJ-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.79
Rot. Bonds7

About 1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070531) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070531
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)NCc2ccc(Cl)cc2)n2ccccc12
InChIInChI=1S/C21H23ClN4O2/c1-3-4-12-25(2)21(28)18-17-7-5-6-13-26(17)19(24-18)20(27)23-14-15-8-10-16(22)11-9-15/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,27)
InChIKeyCXSHDLSBJNLYKJ-UHFFFAOYSA-N
XLogP3.79
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070525
1-N,3-N-dibutyl-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067304
1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070541
1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067536
3-N-butyl-3-N-methyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070647
1-N-benzyl-3-N-butyl-1-N,3-N-dimethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070445
1-N-butyl-3-N-(3,5-dimethylphenyl)-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071479
3-N-[(4-methylphenyl)methyl]-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070393
3-N-butyl-1-N-(4-ethylphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071536
1-N-benzyl-1-N-methyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070440
N-[(4-chlorophenyl)methyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110648131
3-N-[(4-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065877

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070531) is 1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCN(C)C(=O)c1nc(C(=O)NCc2ccc(Cl)cc2)n2ccccc12.
What is the InChIKey of 1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is CXSHDLSBJNLYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-3-4-12-25(2)21(28)18-17-7-5-6-13-26(17)19(24-18)20(27)23-14-15-8-10-16(22)11-9-15/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,27).
What are the key properties of 1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 398.89 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).