2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

C23H30Cl2N4O4 — CID 67384201

IUPAC2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESC=CCN(CC=C)C(=O)C(Cl)Cl.CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1
InChIInChI=1S/C15H19N3O3.C8H11Cl2NO/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3;1-3-5-11(6-4-2)8(12)7(9)10/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21);3-4,7H,1-2,5-6H2
InChIKeyMOVMDOYOXYYOEK-UHFFFAOYSA-N
MW497.42 g/mol
LogP3.62
Rot. Bonds9

About 2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 67384201) has the molecular formula C23H30Cl2N4O4 and a molecular weight of 497.42 g/mol. Its IUPAC name is 2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
PubChem CID67384201
Molecular FormulaC23H30Cl2N4O4
Molecular Weight497.42 g/mol
Exact Mass496.16
IUPAC Name2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESC=CCN(CC=C)C(=O)C(Cl)Cl.CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1
InChIInChI=1S/C15H19N3O3.C8H11Cl2NO/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3;1-3-5-11(6-4-2)8(12)7(9)10/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21);3-4,7H,1-2,5-6H2
InChIKeyMOVMDOYOXYYOEK-UHFFFAOYSA-N
XLogP3.62
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (CID 67384201) is 2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is C=CCN(CC=C)C(=O)C(Cl)Cl.CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1.
What is the InChIKey of 2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The InChIKey is MOVMDOYOXYYOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3.C8H11Cl2NO/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3;1-3-5-11(6-4-2)8(12)7(9)10/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21);3-4,7H,1-2,5-6H2.
What are the key properties of 2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 497.42 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N,N-bis(prop-2-enyl)acetamide;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 67384201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).