1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H30N4O3 — CID 109073379

IUPAC1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)NCCc2ccc(OC)cc2)n2c1CCCC2
InChIInChI=1S/C22H30N4O3/c1-3-4-13-23-21(27)19-18-7-5-6-15-26(18)20(25-19)22(28)24-14-12-16-8-10-17(29-2)11-9-16/h8-11H,3-7,12-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyMMQPGTXCSVNEGF-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.73
Rot. Bonds9

About 1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109073379) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109073379
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)NCCc2ccc(OC)cc2)n2c1CCCC2
InChIInChI=1S/C22H30N4O3/c1-3-4-13-23-21(27)19-18-7-5-6-15-26(18)20(25-19)22(28)24-14-12-16-8-10-17(29-2)11-9-16/h8-11H,3-7,12-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyMMQPGTXCSVNEGF-UHFFFAOYSA-N
XLogP2.73
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073626
3-N-butyl-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073513
3-N-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073463
3-N-(4-ethoxyphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077079
3-N-butyl-1-N,1-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073518
1-N-butyl-3-N-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073424
1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076763
1-N-butyl-3-N-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073419
1-N-butyl-3-N-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073420
3-N-[3-(dimethylamino)propyl]-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075840
1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073493
1-N-[(4-methylphenyl)methyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072278

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109073379) is 1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCNC(=O)c1nc(C(=O)NCCc2ccc(OC)cc2)n2c1CCCC2.
What is the InChIKey of 1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is MMQPGTXCSVNEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-3-4-13-23-21(27)19-18-7-5-6-15-26(18)20(25-19)22(28)24-14-12-16-8-10-17(29-2)11-9-16/h8-11H,3-7,12-15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109073379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).