1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C18H22N4O4S — CID 109067011

IUPAC1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)N(CC)C2CCS(=O)(=O)C2)c2ccccn12
InChIInChI=1S/C18H22N4O4S/c1-3-9-19-17(23)16-20-15(14-7-5-6-10-22(14)16)18(24)21(4-2)13-8-11-27(25,26)12-13/h3,5-7,10,13H,1,4,8-9,11-12H2,2H3,(H,19,23)
InChIKeyASENDHFVICSOTE-UHFFFAOYSA-N
MW390.47 g/mol
LogP0.90
Rot. Bonds6

About 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067011) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067011
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)N(CC)C2CCS(=O)(=O)C2)c2ccccn12
InChIInChI=1S/C18H22N4O4S/c1-3-9-19-17(23)16-20-15(14-7-5-6-10-22(14)16)18(24)21(4-2)13-8-11-27(25,26)12-13/h3,5-7,10,13H,1,4,8-9,11-12H2,2H3,(H,19,23)
InChIKeyASENDHFVICSOTE-UHFFFAOYSA-N
XLogP0.90
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-methoxypropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066968
1-N-(4-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067033
3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066823
1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide
CID 109067100
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methylquinoxaline-2-carboxamide
CID 110853820
1-N-prop-2-enyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066836
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide
CID 110762572
1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067017
methyl 4-[[1-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-3-carbonyl]amino]benzoate
CID 109066929
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247709
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 96574310
3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
CID 60716770

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067011) is 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide is C=CCNC(=O)c1nc(C(=O)N(CC)C2CCS(=O)(=O)C2)c2ccccn12.
What is the InChIKey of 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is ASENDHFVICSOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-3-9-19-17(23)16-20-15(14-7-5-6-10-22(14)16)18(24)21(4-2)13-8-11-27(25,26)12-13/h3,5-7,10,13H,1,4,8-9,11-12H2,2H3,(H,19,23).
What are the key properties of 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 390.47 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).