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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Related Compounds

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CID 56576360
N-(2-amino-2-methylpropyl)-2-(4-bromophenoxy)pyridine-3-carboxamide
CID 119627181
2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 55687355
2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 39283941
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CID 56569700
2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 51133314
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120166
2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 55687965
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide
CID 56829403
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
[2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 55687326
2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119534807

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).