3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H24N4O2 — CID 109073053

IUPAC3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)N(C)Cc2ccccc2)n2c1CCCC2
InChIInChI=1S/C20H24N4O2/c1-3-12-21-19(25)17-16-11-7-8-13-24(16)18(22-17)20(26)23(2)14-15-9-5-4-6-10-15/h3-6,9-10H,1,7-8,11-14H2,2H3,(H,21,25)
InChIKeyLVUMSCDBJOPVDK-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.41
Rot. Bonds6

About 3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109073053) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109073053
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)N(C)Cc2ccccc2)n2c1CCCC2
InChIInChI=1S/C20H24N4O2/c1-3-12-21-19(25)17-16-11-7-8-13-24(16)18(22-17)20(26)23(2)14-15-9-5-4-6-10-15/h3-6,9-10H,1,7-8,11-14H2,2H3,(H,21,25)
InChIKeyLVUMSCDBJOPVDK-UHFFFAOYSA-N
XLogP2.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-benzyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073048
3-N-butyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073092
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
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-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109073075
3-N-(2,6-dimethylphenyl)-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073109
3-N-(2,6-diethylphenyl)-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073118
3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073057
1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076187
1-N-prop-2-enyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073064
3-N-prop-2-enyl-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072098
3-N-tert-butyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073087

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109073053) is 3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is C=CCNC(=O)c1nc(C(=O)N(C)Cc2ccccc2)n2c1CCCC2.
What is the InChIKey of 3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is LVUMSCDBJOPVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-12-21-19(25)17-16-11-7-8-13-24(16)18(22-17)20(26)23(2)14-15-9-5-4-6-10-15/h3-6,9-10H,1,7-8,11-14H2,2H3,(H,21,25).
What are the key properties of 3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109073053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).