2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide

C18H17BrN4O4 — CID 100676572

IUPAC2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide
SMILESCC[C@]1(C)NC(=O)N(NC(=O)c2cccnc2Oc2ccc(Br)cc2)C1=O
InChIInChI=1S/C18H17BrN4O4/c1-3-18(2)16(25)23(17(26)21-18)22-14(24)13-5-4-10-20-15(13)27-12-8-6-11(19)7-9-12/h4-10H,3H2,1-2H3,(H,21,26)(H,22,24)/t18-/m0/s1
InChIKeyWYBVZKQTTBINJW-SFHVURJKSA-N
MW433.26 g/mol
LogP3.00
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide

2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide (PubChem CID 100676572) has the molecular formula C18H17BrN4O4 and a molecular weight of 433.26 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide
PubChem CID100676572
Molecular FormulaC18H17BrN4O4
Molecular Weight433.26 g/mol
Exact Mass432.04
IUPAC Name2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide
SMILESCC[C@]1(C)NC(=O)N(NC(=O)c2cccnc2Oc2ccc(Br)cc2)C1=O
InChIInChI=1S/C18H17BrN4O4/c1-3-18(2)16(25)23(17(26)21-18)22-14(24)13-5-4-10-20-15(13)27-12-8-6-11(19)7-9-12/h4-10H,3H2,1-2H3,(H,21,26)(H,22,24)/t18-/m0/s1
InChIKeyWYBVZKQTTBINJW-SFHVURJKSA-N
XLogP3.00
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.26
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide (CID 100676572) is 2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide is CC[C@]1(C)NC(=O)N(NC(=O)c2cccnc2Oc2ccc(Br)cc2)C1=O.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is WYBVZKQTTBINJW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17BrN4O4/c1-3-18(2)16(25)23(17(26)21-18)22-14(24)13-5-4-10-20-15(13)27-12-8-6-11(19)7-9-12/h4-10H,3H2,1-2H3,(H,21,26)(H,22,24)/t18-/m0/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide?
2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 433.26 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 100676572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).