3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C23H32N4O2 — CID 109076609

IUPAC3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1nc(C(=O)N(Cc2ccccc2)C(C)C)n2c1CCCC2
InChIInChI=1S/C23H32N4O2/c1-5-25(6-2)22(28)20-19-14-10-11-15-26(19)21(24-20)23(29)27(17(3)4)16-18-12-8-7-9-13-18/h7-9,12-13,17H,5-6,10-11,14-16H2,1-4H3
InChIKeyQNCUOVRTVBPBPJ-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.75
Rot. Bonds7

About 3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076609) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076609
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1nc(C(=O)N(Cc2ccccc2)C(C)C)n2c1CCCC2
InChIInChI=1S/C23H32N4O2/c1-5-25(6-2)22(28)20-19-14-10-11-15-26(19)21(24-20)23(29)27(17(3)4)16-18-12-8-7-9-13-18/h7-9,12-13,17H,5-6,10-11,14-16H2,1-4H3
InChIKeyQNCUOVRTVBPBPJ-UHFFFAOYSA-N
XLogP3.75
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-benzyl-3-N,3-N-diethyl-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076306
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074999
3-N-benzyl-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076204
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-benzyl-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076179
3-N-benzyl-1-N-butyl-3-N-ethyl-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076403
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109076547
1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076187
N-benzyl-N-propan-2-yl-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067946
1-N-benzyl-3-N-(2-methoxyethyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075081
3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075704
3-N,3-N-diethyl-1-N-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076716

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076609) is 3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCN(CC)C(=O)c1nc(C(=O)N(Cc2ccccc2)C(C)C)n2c1CCCC2.
What is the InChIKey of 3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is QNCUOVRTVBPBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-5-25(6-2)22(28)20-19-14-10-11-15-26(19)21(24-20)23(29)27(17(3)4)16-18-12-8-7-9-13-18/h7-9,12-13,17H,5-6,10-11,14-16H2,1-4H3.
What are the key properties of 3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).