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

C17H26N4O2 — CID 109073092

IUPAC3-N-butyl-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)CCCC)n2c1CCCC2
InChIInChI=1S/C17H26N4O2/c1-4-6-11-20(3)17(23)15-19-14(16(22)18-10-5-2)13-9-7-8-12-21(13)15/h5H,2,4,6-12H2,1,3H3,(H,18,22)
InChIKeySLYJFNPYVKSWFX-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.01
Rot. Bonds7

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

3-N-butyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109073092) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-N-butyl-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-butyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109073092
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-N-butyl-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)CCCC)n2c1CCCC2
InChIInChI=1S/C17H26N4O2/c1-4-6-11-20(3)17(23)15-19-14(16(22)18-10-5-2)13-9-7-8-12-21(13)15/h5H,2,4,6-12H2,1,3H3,(H,18,22)
InChIKeySLYJFNPYVKSWFX-UHFFFAOYSA-N
XLogP2.01
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.01
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-prop-2-enyl-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072098
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
3-N-tert-butyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073087
1-N-butyl-3-N-(2-methoxyethyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075107
3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109077149
3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077227
1-N-butyl-1-N-methyl-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076994
1-N-butyl-3-N-cyclohexyl-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074782
1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077154
1-N-butyl-3-N-(3,5-dimethylphenyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077160
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-[3-(dimethylamino)propyl]-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075840

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-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-butyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109073092) is 3-N-butyl-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-butyl-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-butyl-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)CCCC)n2c1CCCC2.
What is the InChIKey of 3-N-butyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is SLYJFNPYVKSWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-6-11-20(3)17(23)15-19-14(16(22)18-10-5-2)13-9-7-8-12-21(13)15/h5H,2,4,6-12H2,1,3H3,(H,18,22).
What are the key properties of 3-N-butyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-butyl-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 318.42 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-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 109073092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).